8-chlorodibenz[b,f][1,4]oxazepine-10(11H)carboxylic acid, 2-[1-oxo-3-(2-pyridinyl)propyl]hydrazide

HCID 14975985

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

Related reactions

9 records

Compound notes

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