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Basic information
- Standard SMILES
COc1cc(NCCOc2ccccc2C)ccc1C(=O)N1CCCC(CC(=O)N2CCN(C)CC2)c2cc(Cl)ccc21- InChIKey
VNYWCWAPHBMNDE-UHFFFAOYSA-N- Molecular formula
- C34H41ClN4O4
- Average molar mass
- 605.2 g/mol
Names & identifiers
- Preferred name
- 7-chloro-5-[(4-methyl-1-piperazinyl)carbonylmethyl]-1-[2-methoxy-4-[2-(2-methylphenoxy)ethylamino]benzoyl}-2,3,4,5-tetrahydro-1H-benzazepine
- IUPAC
- 2-[7-chloro-1-[2-methoxy-4-[2-(2-methylphenoxy)ethylamino]benzoyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl]-1-(4-methylpiperazin-1-yl)ethanone
Names & synonyms
7-chloro-5-[(4-methyl-1-piperazinyl)carbonylmethyl]-1-[2-methoxy-4-[2-(2-methylphenoxy)ethylamino]benzoyl}-2,3,4,5-tetrahydro-1H-benzazepine7-chloro-5-[(4-methyl-1-piperazinyl)carbonylmethyl]-1-{2-methoxy-4-[2-(2-methylphenoxy)ethylamino]benzoyl}-2,3,4,5-tetrahydro-1H-benzazepineSCHEMBL7017556VNYWCWAPHBMNDE-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 18001032
Properties
Computed structural propertiesFilling in
- XLogP
- 5.3
- Topological polar surface area
- 74.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 902
Related reactions
4 records
Compound notes
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