7-chloro-5-(4-hydroxyphenyl)-1-pentyl-3-propan-2-yl-3H-1,4-benzodiazepin-2-one
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Basic information
- Standard SMILES
CCCCCN1C(=O)C(C(C)C)N=C(c2ccc(O)cc2)c2cc(Cl)ccc21- InChIKey
JADKQDTUSIZXSZ-UHFFFAOYSA-N- Molecular formula
- C23H27ClN2O2
- Average molar mass
- 398.9 g/mol
- Monoisotopic mass
- 398.1761058
Names & identifiers
- Preferred name
- 7-chloro-5-(4-hydroxyphenyl)-1-pentyl-3-propan-2-yl-3H-1,4-benzodiazepin-2-one
- IUPAC
- 7-chloro-5-(4-hydroxyphenyl)-1-pentyl-3-propan-2-yl-3H-1,4-benzodiazepin-2-one
Names & synonyms
NSC691360NSC-691360
Database identifiers
- PubChem CID
- 391775
Properties
Computed structural propertiesFilling in
- XLogP
- 5.5
- 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
- 557
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