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Home > Bromides > 1246303-14-9
1246303-14-9 | Cyclopropanecarboxamide, N-[(1S)-2-[4-(5-bromo-2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)-1-piperidinyl]-1-methylethyl]-2-phenyl-, (1R,2R)-
CAS No: 1246303-14-9 Catalog No: AG000MHY MDL No:
Product Description
Catalog Number:
AG000MHY
Chemical Name:
Cyclopropanecarboxamide, N-[(1S)-2-[4-(5-bromo-2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)-1-piperidinyl]-1-methylethyl]-2-phenyl-, (1R,2R)-
CAS Number:
1246303-14-9
Molecular Formula:
C25H29BrN4O2
Molecular Weight:
497.4274
IUPAC Name:
(1R,2R)-N-[(2S)-1-[4-(5-bromo-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-2-phenylcyclopropane-1-carboxamide
InChI:
InChI=1S/C25H29BrN4O2/c1-16(27-24(31)21-14-20(21)17-5-3-2-4-6-17)15-29-11-9-19(10-12-29)30-23-8-7-18(26)13-22(23)28-25(30)32/h2-8,13,16,19-21H,9-12,14-15H2,1H3,(H,27,31)(H,28,32)/t16-,20-,21+/m0/s1
InChI Key:
JSVNNLRZCJAYTQ-ORYQWCPZSA-N
SMILES:
C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1)CN1CCC(CC1)n1c(=O)[nH]c2c1ccc(c2)Br
Properties
Complexity:
691
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
496.147g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
497.437g/mol
Monoisotopic Mass:
496.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| COPI acts in both vesicular and tubular transport. | Nature cell biology 20110801 |
| Design and synthesis of isoform-selective phospholipase D (PLD) inhibitors. Part I: Impact of alternative halogenated privileged structures for PLD1 specificity. | Bioorganic & medicinal chemistry letters 20090401 |
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