Name: 3α-[3-(RS)-pyrrolidinylthio]androstane-6,17-dione fumarate
SMILES:
C[C@]12CC[C@@H](SC3CCNC3)CC1C(=O)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.O=C(O)/C=C/C(=O)OMolecular Processing
Molecular formula
C27H39NO6S
Molecular weight
505.68
Exact mass
505.2498
XLogP
3.95
TPSA
120.77
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
35
Rings
5
Aromatic rings
0
Saturated rings
5
Aliphatic rings
5
Stereo centers
8
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.778
Molar refractivity
134.19
Supplementary Information
Details werden geladen…
An 1 Reaktionen beteiligt→