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Basic information
- Standard SMILES
CCCCN1C(=O)C(C(C)C)N=C(c2cccc(O)c2)c2ccccc21- InChIKey
QELMPTOAQAYWLM-UHFFFAOYSA-N- Molecular formula
- C22H26N2O2
- Average molar mass
- 350.5 g/mol
- Monoisotopic mass
- 350.19942808
Names & identifiers
- Preferred name
- 1-butyl-5-(3-hydroxyphenyl)-3-propan-2-yl-3H-1,4-benzodiazepin-2-one
- IUPAC
- 1-butyl-5-(3-hydroxyphenyl)-3-propan-2-yl-3H-1,4-benzodiazepin-2-one
Names & synonyms
NSC691358NSC-691358
Database identifiers
- PubChem CID
- 391773
Properties
Computed structural propertiesFilling in
- XLogP
- 4.9
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 516
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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