Basic information
- Standard SMILES
Cc1oc2ccccc2c1CN(C)C(=O)/C=C/c1cnc2c(c1)CN(CCCN1CCOCC1)CC(=O)N2.Cl- InChIKey
VFVXUCGBXSDWEQ-HRNDJLQDSA-N- Molecular formula
- C29H36ClN5O4
- Average molar mass
- 554.1 g/mol
Names & identifiers
- Preferred name
- (E)-N-Methyl-N-(2-methyl-benzofuran-3-ylmethyl)-3-[4-(3-morpholin-4-yl-propyl)-2-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl]acrylamide hydrochloride
- IUPAC
- (E)-N-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]-3-[4-(3-morpholin-4-ylpropyl)-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl]prop-2-enamide;hydrochloride
Names & synonyms
SCHEMBL1253460VFVXUCGBXSDWEQ-HRNDJLQDSA-N(E)-N-Methyl-N-(2-methyl-benzofuran-3-ylmethyl)-3-[4-(3-morpholin-4-yl-propyl)-2-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl]acrylamide hydrochloride
Database identifiers
- PubChem CID
- 10053376
Properties
Computed structural properties
- Topological polar surface area
- 91.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 834
Related reactions
1 records
Compound notes
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