Basic information
- Standard SMILES
CN(Cc1oc2ccccc2c1Cl)C(=O)/C=C/c1cnc2c(c1)CNCC(=O)N2.Cl- InChIKey
DURPSTRGEFJIPE-UHDJGPCESA-N- Molecular formula
- C21H20Cl2N4O3
- Average molar mass
- 447.3 g/mol
Names & identifiers
- Preferred name
- (E)-N-(3-Chloro-benzofuran-2-ylmethyl)-N-methyl-3-(2-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)-acrylamide hydrochloride
- IUPAC
- (E)-N-[(3-chloro-1-benzofuran-2-yl)methyl]-N-methyl-3-(2-oxo-1,3,4,5-tetrahydropyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide;hydrochloride
Names & synonyms
SCHEMBL1253685DURPSTRGEFJIPE-UHDJGPCESA-N(E)-N-(3-Chloro-benzofuran-2-ylmethyl)-N-methyl-3-(2-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)-acrylamide hydrochloride
Database identifiers
- PubChem CID
- 16660480
Properties
Computed structural properties
- Topological polar surface area
- 87.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 645
Related reactions
2 records
Compound notes
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