1-(cyclopropylmethyl)-5-(3-hydroxyphenyl)-3-propan-2-yl-3H-1,4-benzodiazepin-2-one
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Basic information
- Standard SMILES
CC(C)C1N=C(c2cccc(O)c2)c2ccccc2N(CC2CC2)C1=O- InChIKey
HXXWJGMQPWQPQH-UHFFFAOYSA-N- Molecular formula
- C22H24N2O2
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.18377801
Names & identifiers
- Preferred name
- 1-(cyclopropylmethyl)-5-(3-hydroxyphenyl)-3-propan-2-yl-3H-1,4-benzodiazepin-2-one
- IUPAC
- 1-(cyclopropylmethyl)-5-(3-hydroxyphenyl)-3-propan-2-yl-3H-1,4-benzodiazepin-2-one
Names & synonyms
NSC691364NSC-691364
Database identifiers
- PubChem CID
- 391779
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 554
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Compound notes
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