N5,N11-Diethyl-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one
Basic information
- CAS
24000-53-1- Standard SMILES
CCN1C(=O)c2ccccc2N(CC)c2ncccc21- InChIKey
KTFNVVFLPNSVAX-UHFFFAOYSA-N- Molecular formula
- C16H17N3O
- Average molar mass
- 267.33 g/mol
- Monoisotopic mass
- 267.13716217
Names & identifiers
- Preferred name
- N5,N11-Diethyl-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one
- IUPAC
- 5,11-diethylpyrido[2,3-b][1,4]benzodiazepin-6-one
Names & synonyms
24000-53-1N5,N11-Diethyl-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-oneN5,N11-Diethyl-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one5,11-diethylpyrido[2,3-b][1,4]benzodiazepin-6-oneCHEMBL70562BDBM1672SCHEMBL9369777DTXSID80178736Pyridobenzodiazepinone deriv. 1175,11-Diethyl-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one2,9-diethyl-2,4,9-triazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
Database identifiers
- CAS
24000-53-1- PubChem CID
- 453352
- DTXSID
DTXSID80178736- ChEMBL
CHEMBL70562
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 36.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 360
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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