S-2-pyridyl 3-oxo-4-androstene-17beta-thiocarboxylate

HCID 15380261
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Basic information

Standard SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Sc1ccccn1
InChIKey
YQHJEBPJZIDKSM-RJBKZOIGSA-N
Molecular formula
C25H31NO2S
Average molar mass
409.6 g/mol
Monoisotopic mass
409.20755041

Names & identifiers

Preferred name
S-2-pyridyl 3-oxo-4-androstene-17beta-thiocarboxylate
IUPAC
S-pyridin-2-yl (8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carbothioate

Names & synonyms

SCHEMBL8633690YQHJEBPJZIDKSM-RJBKZOIGSA-NS-2-pyridyl 3-oxo-4-androstene-17beta-thiocarboxylate

Database identifiers

PubChem CID
15380261

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
72.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
29

Related reactions

11 records
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Compound notes

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