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439096-72-7 | 4-cyclohexanecarbonyl-N-[3-(1H-imidazol-1-yl)propyl]-1H-pyrrole-2-carboxamide
CAS No: 439096-72-7 Catalog No: AG00IN65 MDL No:MFCD03012661
Product Description
Catalog Number:
AG00IN65
Chemical Name:
4-cyclohexanecarbonyl-N-[3-(1H-imidazol-1-yl)propyl]-1H-pyrrole-2-carboxamide
CAS Number:
439096-72-7
Molecular Formula:
C18H24N4O2
Molecular Weight:
328.4088
MDL Number:
MFCD03012661
IUPAC Name:
4-(cyclohexanecarbonyl)-N-(3-imidazol-1-ylpropyl)-1H-pyrrole-2-carboxamide
InChI:
InChI=1S/C18H24N4O2/c23-17(14-5-2-1-3-6-14)15-11-16(21-12-15)18(24)20-7-4-9-22-10-8-19-13-22/h8,10-14,21H,1-7,9H2,(H,20,24)
InChI Key:
VZHGLPZFPONAFP-UHFFFAOYSA-N
SMILES:
O=C(c1[nH]cc(c1)C(=O)C1CCCCC1)NCCCn1cncc1
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.19g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
328.416g/mol
Monoisotopic Mass:
328.19g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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