Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
O=C(Nc1cccc(Cl)c1)NC1CC(C2CCCCC2)c2ccccc2NC1=O- InChIKey
CXNXMUBWLPQMCS-UHFFFAOYSA-N- Molecular formula
- C23H26ClN3O2
- Average molar mass
- 411.9 g/mol
Names & identifiers
- Preferred name
- 3-[3-(3-Chloro-phenyl)-ureido]-2-oxo-5-cyclohexyl-1,3,4,5-tetrahydro-benzo[b]azepine
- IUPAC
- 1-(3-chlorophenyl)-3-(5-cyclohexyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)urea
Names & synonyms
SCHEMBL8485129CXNXMUBWLPQMCS-UHFFFAOYSA-N3-[3-(3-chloro-phenyl)-ureido]-2-oxo-5-cyclohexyl-1,3,4,5-tetrahydro-benzo[b]azepine
Database identifiers
- PubChem CID
- 53745496
Properties
Computed structural propertiesFilling in
- XLogP
- 5.4
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 580
Related reactions
2 records
Compound notes
Loading…