5-ethoxycarbonylmethylidene-7-chloro-1-[2-methyl-4-(2-methylbenzoylamino)benzoyl]-2,3,4,5-tetrahydro-1H-benzazepine

HCID 54237705
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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 properties

XLogP
5.8
Topological polar surface area
75.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
37

Related reactions

6 records
New reaction record

Linked notes

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5-ethoxycarbonylmethylidene-7-chloro-1-[2-methyl-4-(2-methylbenzoylamino)benzoyl]-2,3,4,5-tetrahydro-1H-benzazepine (HCID 54237705)｜Huagongshe