1-butyl-3-[(E)-(3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene)amino]thiourea
Basic information
- CAS
68862-44-2- Standard SMILES
CCCCNC(=S)N/N=C1\CCC2C3CCc4cc(OC)ccc4C3CCC12C- InChIKey
VBEUGKNMYCVBIQ-XTCLZLMSSA-N- Molecular formula
- C24H35N3OS
- Average molar mass
- 413.6 g/mol
- Monoisotopic mass
- 413.25008392
Names & identifiers
- Preferred name
- 1-butyl-3-[(E)-(3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene)amino]thiourea
- IUPAC
- 1-butyl-3-[(E)-(3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene)amino]thiourea
Names & synonyms
NSC29078968862-44-2DTXSID40430226NSC-290789(2E)-N-Butyl-2-[(17E)-3-methoxyestra-1,3,5(10)-trien-17-ylidene]hydrazine-1-carbothioamide
Database identifiers
- CAS
68862-44-2- PubChem CID
- 9562024
- DTXSID
DTXSID40430226
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 623
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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