الاسم: (E)-N-(1-(4-chlorophenyl)cyclopropyl)-3-((3aS,5aR,5bR,7aR,9S,11aR,11bR,13aS)-9-hydroxy-1-isopropyl-5a,5b,8,8,11a-pentamethyl-2-oxo-3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-octadecahydro-2H-cyclopenta[a]chrysen-3a-yl)-2-methylacrylamide
SMILES:
C/C(=C\[C@@]12CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)C1=C(C(C)C)C(=O)C2)C(=O)NC1(c2ccc(Cl)cc2)CC1Molecular Processing
Molecular formula
C42H58ClNO3
Molecular weight
660.38
Exact mass
659.4105
XLogP
9.73
TPSA
66.4
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
47
Rings
7
Aromatic rings
1
Saturated rings
5
Aliphatic rings
6
Stereo centers
8
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
189.7
Supplementary Information
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