[(3E)-3-(carbamothioylhydrazinylidene)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
Basic information
- CAS
68888-68-6- Standard SMILES
CC(=O)OC1CCC2C3CCC4=C/C(=N/NC(N)=S)CCC4(C)C3CCC12C- InChIKey
FUJNZZXYPXLNSS-BUVRLJJBSA-N- Molecular formula
- C22H33N3O2S
- Average molar mass
- 403.6 g/mol
- Monoisotopic mass
- 403.22934848
Names & identifiers
- Preferred name
- [(3E)-3-(carbamothioylhydrazinylidene)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
- IUPAC
- [(3E)-3-(carbamothioylhydrazinylidene)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
Names & synonyms
NSC27029668888-68-6DTXSID40420945NSC-270296(3E)-3-(2-Carbamothioylhydrazinylidene)androst-4-en-17-yl acetate
Database identifiers
- CAS
68888-68-6- PubChem CID
- 5780293
- DTXSID
DTXSID40420945
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 748
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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