[(3E)-3-(butylcarbamothioylhydrazinylidene)-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate
Basic information
- CAS
68862-54-4- Standard SMILES
CCCCNC(=S)N/N=C1/C=C2C=CC3C(CCC4(C)C(OC(C)=O)CCC34)C2(C)CC1- InChIKey
DIBMKPRXYOMWNU-TURZUDJPSA-N- Molecular formula
- C26H39N3O2S
- Average molar mass
- 457.7 g/mol
- Monoisotopic mass
- 457.27629867
Names & identifiers
- Preferred name
- [(3E)-3-(butylcarbamothioylhydrazinylidene)-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate
- IUPAC
- [(3E)-3-(butylcarbamothioylhydrazinylidene)-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate
Names & synonyms
NSC27030168862-54-4DTXSID10421222NSC-270301(3E)-3-[2-(Butylcarbamothioyl)hydrazinylidene]androsta-4,6-dien-17-yl acetate
Database identifiers
- CAS
68862-54-4- PubChem CID
- 5872579
- DTXSID
DTXSID10421222
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 850
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Related reactions
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Compound notes
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