17-(2-Amino-4-thiazolyl)-androsta-5,16-dien-3-one
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Basic information
- Standard SMILES
C[C@]12CCC(=O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(c3csc(N)n3)=CC[C@@H]12- InChIKey
SHGMACJGBKYTPH-HSDNQCAASA-N- Molecular formula
- C22H28N2OS
- Average molar mass
- 368.5 g/mol
- Monoisotopic mass
- 368.19223469
Names & identifiers
- Preferred name
- 17-(2-Amino-4-thiazolyl)-androsta-5,16-dien-3-one
- IUPAC
- (8R,9S,10R,13S,14S)-17-(2-amino-1,3-thiazol-4-yl)-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
Names & synonyms
SCHEMBL2639456SHGMACJGBKYTPH-HSDNQCAASA-N17-(2-amino-4-thiazolyl)-androsta-5,16-dien-3-one17-(2-amino-4-thiazolyl)-androsta-5,16-dien-3one
Database identifiers
- PubChem CID
- 9799429
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 700
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Related reactions
3 records
Compound notes
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