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Basic information
- Standard SMILES
CCCCN1C(=O)C(C(C)C)N=C(c2ccc(O)cc2)c2cc(Cl)ccc21- InChIKey
IUUKGUGLGRSWGV-UHFFFAOYSA-N- Molecular formula
- C22H25ClN2O2
- Average molar mass
- 384.9 g/mol
- Monoisotopic mass
- 384.1604557
Names & identifiers
- Preferred name
- 1-butyl-7-chloro-5-(4-hydroxyphenyl)-3-propan-2-yl-3H-1,4-benzodiazepin-2-one
- IUPAC
- 1-butyl-7-chloro-5-(4-hydroxyphenyl)-3-propan-2-yl-3H-1,4-benzodiazepin-2-one
Names & synonyms
NSC691357NSC-691357
Database identifiers
- PubChem CID
- 391772
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 542
Related reactions
0 records
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Compound notes
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