Basic information
- Standard SMILES
O=C(CCc1ccccn1)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21- InChIKey
HCAHKBLMQDSIHG-UHFFFAOYSA-N- Molecular formula
- C22H19ClN4O3
- Average molar mass
- 422.9 g/mol
- Monoisotopic mass
- 422.1145682
Names & identifiers
- Preferred name
- 8-chlorodibenz[b,f][1,4]oxazepine-10(11H)carboxylic acid, 2-[1-oxo-3-(2-pyridinyl)propyl]hydrazide
- IUPAC
- 3-chloro-N'-(3-pyridin-2-ylpropanoyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide
Names & synonyms
CHEMBL1194842HCAHKBLMQDSIHG-UHFFFAOYSA-NL0078438-chlorodibenz[b,f][1,4]oxazepine-10(11H)-carboxylic acid, 2-[1-oxo-3-(2-pyridinyl)propyl]hydrazide8-chlorodibenz[b,f][1,4]oxazepine-10(11H)carboxylic acid, 2-[1-oxo-3-(2-pyridinyl)propyl]hydrazide8-chlorodibenz[b,f][1,41oxazepine-10(11H)-carboxylic acid, 2-[1-oxo-3-(2-pyridinyl)propyl]hydrazide
Database identifiers
- PubChem CID
- 14975985
- ChEMBL
CHEMBL1194842- Nikkaji
- J568.167G
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 607
Related reactions
9 records
Compound notes
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