Basic information
- Standard SMILES
C#CCNC(=O)N1c2ccccc2C(=O)Nc2cccnc21- InChIKey
XYWUUXOEUCGXMS-UHFFFAOYSA-N- Molecular formula
- C16H12N4O2
- Average molar mass
- 292.29 g/mol
Names & identifiers
- Preferred name
- 5,11-Dihydro-11-[[(2-propynyl)-amino]carbonyl]-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one
- IUPAC
- 6-oxo-N-prop-2-ynyl-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide
Names & synonyms
SCHEMBL10659146XYWUUXOEUCGXMS-UHFFFAOYSA-N5,11-Dihydro-11-[[(2-propynyl)-amino]carbonyl]-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Database identifiers
- PubChem CID
- 20152920
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 74.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 498
Related reactions
2 records
Compound notes
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