Ethyl10-[4-[(2,4-dichlorobenzoyl)amino]-3-methylbenzoyl]-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxylate

HCID 21837013

基本情報

標準SMILES
CCOC(=O)c1ccc2n1Cc1ccccc1N(C(=O)c1ccc(NC(=O)c3ccc(Cl)cc3Cl)c(C)c1)C2
InChIKey
LZVXAPDLZFJVIN-UHFFFAOYSA-N
分子式
C30H25Cl2N3O4
平均分子量
562.4 g/mol

名称と識別子

優先名称
Ethyl10-[4-[(2,4-dichlorobenzoyl)amino]-3-methylbenzoyl]-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxylate
IUPAC
ethyl 5-[4-[(2,4-dichlorobenzoyl)amino]-3-methylbenzoyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxylate

名称と別名

SCHEMBL7339753LZVXAPDLZFJVIN-UHFFFAOYSA-NEthyl 10-[4-[(2,4-dichlorobenzoyl)amino]-3-methyl-benzoyl]-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]-benzodiazepine-3-carboxylateEthyl 10-[4-[(2,4-dichlorobenzoyl)amino]-3-methylbenzoyl]-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]-benzodiazepine-3-carboxylateEthyl 10-[4-[(2,4-dichlorobenzoyl)amino]-3-methylbenzoyl]-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxylateEthyl10-[4-[(2,4-dichlorobenzoyl)amino]-3-methylbenzoyl]-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxylate

データベース識別子

PubChem CID
21837013

物性

構造計算による物性

XLogP
5.9
極性表面積
80.6 Ų
水素結合供与体数
1
水素結合受容体数
4
回転可能結合数
6
重原子数
39

関連反応

9 件

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