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98319-24-5 | 1H-Indeno[5,4-f]quinoline-7-carboxamide,N-(1,1-dimethylethyl)hexadecahydro-4a,6a-dimethyl-2-oxo-,(4aR,4bS,6aS,7S,9aS,9bS,11aR)-
CAS No: 98319-24-5 Catalog No: AG00IK2G MDL No:MFCD00214352
Product Description
Catalog Number:
AG00IK2G
Chemical Name:
1H-Indeno[5,4-f]quinoline-7-carboxamide,N-(1,1-dimethylethyl)hexadecahydro-4a,6a-dimethyl-2-oxo-,(4aR,4bS,6aS,7S,9aS,9bS,11aR)-
CAS Number:
98319-24-5
Molecular Formula:
C23H38N2O2
Molecular Weight:
374.5600
MDL Number:
MFCD00214352
IUPAC Name:
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide
InChI:
InChI=1S/C23H38N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h14-18H,6-13H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1
InChI Key:
ZOIUUCNFVDJSJK-WSBQPABSSA-N
SMILES:
O=C1CC[C@]2([C@H](N1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2C(=O)NC(C)(C)C)C)C
Properties
Complexity:
639
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
Defined Bond Stereocenter Count:
0
Exact Mass:
374.293g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
374.569g/mol
Monoisotopic Mass:
374.293g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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