5H-1,4-Benzodiazepin-5-one, 1,2,3,4-tetrahydro-1-phenyl-4-(2-pyrrolidin-1-ylethyl)-
Basic information
- CAS
65647-15-6- Standard SMILES
O=C1c2ccccc2N(c2ccccc2)CCN1CCN1CCCC1- InChIKey
YFHLFXICDSSMQY-UHFFFAOYSA-N- Molecular formula
- C21H25N3O
- Average molar mass
- 335.4 g/mol
- Monoisotopic mass
- 335.19976243
Names & identifiers
- Preferred name
- 5H-1,4-Benzodiazepin-5-one, 1,2,3,4-tetrahydro-1-phenyl-4-(2-pyrrolidin-1-ylethyl)-
- IUPAC
- 1-phenyl-4-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1,4-benzodiazepin-5-one
Names & synonyms
BRN 08337625H-1,4-Benzodiazepin-5-one, 1,2,3,4-tetrahydro-1-phenyl-4-(2-pyrrolidin-1-ylethyl)-65647-15-6DTXSID902158835-24-02-00480 (Beilstein Handbook Reference)1-Phenyl-4-(2-pyrrolidin-1-ylethyl)-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-oneRefChem:305256DTXCID20138374CHEMBL32768171-Phenyl-4-[2-(pyrrolidin-1-yl)ethyl]-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one
Database identifiers
- CAS
65647-15-6- PubChem CID
- 47694
- DTXSID
DTXSID90215883- ChEMBL
CHEMBL3276817- Nikkaji
- J69.334K
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 26.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 442
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Compound notes
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