5-ethoxycarbonylmethylidene-7-chloro-1-[2-methyl-4-(2-methylbenzoylamino)benzoyl]-2,3,4,5-tetrahydro-1H-benzazepine
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Basic information
- Standard SMILES
CCOC(=O)C=C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2C)c2ccc(Cl)cc21- InChIKey
QNTCTFBUNCXIIT-UHFFFAOYSA-N- Molecular formula
- C30H29ClN2O4
- Average molar mass
- 517 g/mol
Names & identifiers
- Preferred name
- 5-ethoxycarbonylmethylidene-7-chloro-1-[2-methyl-4-(2-methylbenzoylamino)benzoyl]-2,3,4,5-tetrahydro-1H-benzazepine
- IUPAC
- ethyl 2-[7-chloro-1-[2-methyl-4-[(2-methylbenzoyl)amino]benzoyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]acetate
Names & synonyms
SCHEMBL4684513QNTCTFBUNCXIIT-UHFFFAOYSA-N5-ethoxycarbonylmethylidene-7-chloro-1-[2-methyl-4-(2-methylbenzoylamino)-benzoyl]-2,3,4,5-tetrahydro-1H-benzoazepine5-ethoxycarbonylmethylidene-7-chloro-1-[2-methyl-4-(2-methylbenzoylamino)benzoyl]-2,3,4,5-tetrahydro-1H-benzazepine
Database identifiers
- PubChem CID
- 54237705
Properties
Computed structural propertiesFilling in
- XLogP
- 5.8
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 861
Related reactions
6 records
Compound notes
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