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151338-11-3 | Androsta-3,5-diene-17-carboxamide, 3-cyano-N-(1,1-dimethylethyl)-, (17β)-
CAS No: 151338-11-3 Catalog No: AG001N9T MDL No:
Product Description
Catalog Number:
AG001N9T
Chemical Name:
Androsta-3,5-diene-17-carboxamide, 3-cyano-N-(1,1-dimethylethyl)-, (17β)-
CAS Number:
151338-11-3
Molecular Formula:
C25H36N2O
Molecular Weight:
380.5661
IUPAC Name:
N-tert-butyl-3-cyano-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide
InChI:
InChI=1S/C25H36N2O/c1-23(2,3)27-22(28)21-9-8-19-18-7-6-17-14-16(15-26)10-12-24(17,4)20(18)11-13-25(19,21)5/h6,14,18-21H,7-13H2,1-5H3,(H,27,28)
InChI Key:
SWSAVZHOUMPGCF-UHFFFAOYSA-N
SMILES:
N#CC1=CC2=CC[C@@H]3[C@@H]([C@]2(CC1)C)CC[C@]1([C@H]3CC[C@@H]1C(=O)NC(C)(C)C)C
EC Number:
415-730-9
Properties
Complexity:
791
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.283g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
380.576g/mol
Monoisotopic Mass:
380.283g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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