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Home > Bromides > 1643156-23-3
1643156-23-3 | 1H-Carbazole-8-carboxamide, 5-bromo-6-fluoro-2,3,4,9-tetrahydro-2-(1-hydroxy-1-methylethyl)-, (2S)-
CAS No: 1643156-23-3 Catalog No: AG001USN MDL No:
Product Description
Catalog Number:
AG001USN
Chemical Name:
1H-Carbazole-8-carboxamide, 5-bromo-6-fluoro-2,3,4,9-tetrahydro-2-(1-hydroxy-1-methylethyl)-, (2S)-
CAS Number:
1643156-23-3
Molecular Formula:
C16H18BrFN2O2
Molecular Weight:
369.2287
IUPAC Name:
(7S)-4-bromo-3-fluoro-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
InChI:
InChI=1S/C16H18BrFN2O2/c1-16(2,22)7-3-4-8-11(5-7)20-14-9(15(19)21)6-10(18)13(17)12(8)14/h6-7,20,22H,3-5H2,1-2H3,(H2,19,21)/t7-/m0/s1
InChI Key:
INKXBBUMHPYPAU-ZETCQYMHSA-N
SMILES:
NC(=O)c1cc(F)c(c2c1[nH]c1c2CC[C@@H](C1)C(O)(C)C)Br
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
368.054g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
369.234g/mol
Monoisotopic Mass:
368.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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