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89359-48-8 | 17-{2-[(4-methylphenyl)sulfonyl]hydrazinylidene}androst-5-en-3-yl acetate
CAS No: 89359-48-8 Catalog No: AG003YXD MDL No:
Product Description
Catalog Number:
AG003YXD
Chemical Name:
17-{2-[(4-methylphenyl)sulfonyl]hydrazinylidene}androst-5-en-3-yl acetate
CAS Number:
89359-48-8
Molecular Formula:
C28H38N2O4S
Molecular Weight:
498.6773
IUPAC Name:
[(17Z)-10,13-dimethyl-17-[(4-methylphenyl)sulfonylhydrazinylidene]-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
InChI:
InChI=1S/C28H38N2O4S/c1-18-5-8-22(9-6-18)35(32,33)30-29-26-12-11-24-23-10-7-20-17-21(34-19(2)31)13-15-27(20,3)25(23)14-16-28(24,26)4/h5-9,21,23-25,30H,10-17H2,1-4H3/b29-26-
InChI Key:
LWKASFZCKOJSCS-WCTVFOPTSA-N
SMILES:
CC(=O)OC1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CCC2=NNS(=O)(=O)c2ccc(cc2)C)C)C1)C
NSC Number:
124752
Properties
Complexity:
1010
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
498.255g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
498.682g/mol
Monoisotopic Mass:
498.255g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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