8-chloro-5-(3-hydroxyphenyl)-1-pentyl-3-propan-2-yl-3H-1,4-benzodiazepin-2-one
Basic information
- Standard SMILES
CCCCCN1C(=O)C(C(C)C)N=C(c2cccc(O)c2)c2ccc(Cl)cc21- InChIKey
PMWBRGSLQBZZRG-UHFFFAOYSA-N- Molecular formula
- C23H27ClN2O2
- Average molar mass
- 398.9 g/mol
- Monoisotopic mass
- 398.1761058
Names & identifiers
- Preferred name
- 8-chloro-5-(3-hydroxyphenyl)-1-pentyl-3-propan-2-yl-3H-1,4-benzodiazepin-2-one
- IUPAC
- 8-chloro-5-(3-hydroxyphenyl)-1-pentyl-3-propan-2-yl-3H-1,4-benzodiazepin-2-one
Names & synonyms
NSC691362NSC-691362
Database identifiers
- PubChem CID
- 391777
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 565
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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