Basic information
- Standard SMILES
O=C1Nc2cccnc2N(C(=O)CCNCc2ccccc2)c2ccccc21- InChIKey
GDYRORYYEYVRPV-UHFFFAOYSA-N- Molecular formula
- C22H20N4O2
- Average molar mass
- 372.4 g/mol
Names & identifiers
- Preferred name
- 11-[3-(Benzylamino)propionyl]-5,11-dihydro-6H-pyrido[2,3-b]-[1,4]benzodiazepin-6-one
- IUPAC
- 11-[3-(benzylamino)propanoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Names & synonyms
SCHEMBL11455946GDYRORYYEYVRPV-UHFFFAOYSA-N11-[3-(Benzylamino)propionyl]-5,11-dihydro-6H-pyrido[2,3-b]-[1,4]benzodiazepin-6-one
Database identifiers
- PubChem CID
- 20332019
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 74.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 549
Related reactions
4 records
Compound notes
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