Basic information
- CAS
24662-99-5- Standard SMILES
CC(C)CCCC(C)C1CCC2C3CC(=O)NC4CC(Cl)CCC4(C)C3CCC12C- InChIKey
JETLFZXNPWBYKK-UHFFFAOYSA-N- Molecular formula
- C27H46ClNO
- Average molar mass
- 436.1 g/mol
- Monoisotopic mass
- 435.3267928
Names & identifiers
- Preferred name
- 5-Chloro-7a,9a-dimethyl-10-(6-methylheptan-2-yl)hexadecahydrobenzo[b]indeno[5,4-d]azepin-2(1h)-one
- IUPAC
- 5-chloro-2,16-dimethyl-15-(6-methylheptan-2-yl)-8-azatetracyclo[9.7.0.02,7.012,16]octadecan-9-one
Names & synonyms
24662-99-5NSC1407935-chloro-7a,9a-dimethyl-10-(6-methylheptan-2-yl)hexadecahydrobenzo[b]indeno[5,4-d]azepin-2(1h)-oneDTXSID80301047NSC-140793
Database identifiers
- CAS
24662-99-5- PubChem CID
- 284653
- DTXSID
DTXSID80301047
Properties
Computed structural properties
- XLogP
- 8.6
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 634
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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