(E)-7-(2-Carboxy-vinyl)-2-oxo-1,2,3,5-tetrahydro-pyrido[2,3-e][1,4]diazepine-4-carboxylic acid benzyl ester hydrochloride
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
Cl.O=C(O)/C=C/c1cnc2c(c1)CN(C(=O)OCc1ccccc1)CC(=O)N2- InChIKey
JQYOJQNGOGFLTO-UHDJGPCESA-N- Molecular formula
- C19H18ClN3O5
- Average molar mass
- 403.8 g/mol
Names & identifiers
- Preferred name
- (E)-7-(2-Carboxy-vinyl)-2-oxo-1,2,3,5-tetrahydro-pyrido[2,3-e][1,4]diazepine-4-carboxylic acid benzyl ester hydrochloride
- IUPAC
- (E)-3-(2-oxo-4-phenylmethoxycarbonyl-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enoic acid;hydrochloride
Names & synonyms
SCHEMBL1254058JQYOJQNGOGFLTO-UHDJGPCESA-N(E)-7-(2-Carboxy-vinyl)-2-oxo-1,2,3,5-tetrahydro-pyrido[2,3-e][1,4]diazepine-4-carboxylic acid benzyl ester hydrochloride
Database identifiers
- PubChem CID
- 66967367
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 588
Related reactions
3 records
Compound notes
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