Stigmast-5-en-3-yl (4-chlorophenyl)carbamate
Basic information
- CAS
67978-98-7- Standard SMILES
CCC(CCC(C)C1CCC2C3CC=C4CC(OC(=O)Nc5ccc(Cl)cc5)CCC4(C)C3CCC12C)C(C)C- InChIKey
LSOBUDYJDNBGGT-UHFFFAOYSA-N- Molecular formula
- C36H54ClNO2
- Average molar mass
- 568.3 g/mol
- Monoisotopic mass
- 567.3843077
Names & identifiers
- Preferred name
- Stigmast-5-en-3-yl (4-chlorophenyl)carbamate
- IUPAC
- [17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-(4-chlorophenyl)carbamate
Names & synonyms
67978-98-7NSC233986Stigmast-5-en-3-yl (4-chlorophenyl)carbamateDTXSID90310887NSC-233986
Database identifiers
- CAS
67978-98-7- PubChem CID
- 314672
- DTXSID
DTXSID90310887
Properties
Computed structural properties
- XLogP
- 11.9
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 908
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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