methyl 4-[[3-[(3,4-dichlorophenyl)methyl-methyl-carbamoyl]-4-hydroxy-5-oxo-2H-pyrrol-1-yl]methyl]benzoate

HCID 54698210
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기본 정보

표준 SMILES
COC(=O)c1ccc(CN2CC(C(=O)N(C)Cc3ccc(Cl)c(Cl)c3)=C(O)C2=O)cc1
InChIKey
FCWNOSKIYMIGIL-UHFFFAOYSA-N
분자식
C22H20Cl2N2O5
평균 분자량
463.3 g/mol

이름 및 식별자

우선 이름
methyl 4-[[3-[(3,4-dichlorophenyl)methyl-methyl-carbamoyl]-4-hydroxy-5-oxo-2H-pyrrol-1-yl]methyl]benzoate
IUPAC
methyl 4-[[3-[(3,4-dichlorophenyl)methyl-methylcarbamoyl]-4-hydroxy-5-oxo-2H-pyrrol-1-yl]methyl]benzoate

이름 및 동의어

SCHEMBL6077697FCWNOSKIYMIGIL-UHFFFAOYSA-N4-{4-[(3,4-Dichloro-benzyl)-methyl-carbamoyl]-3-hydroxy-2-oxo-2,5-dihydro-pyrrol-1-ylmethyl}-benzoic acid methyl esterBenzoic acid, 4-[[4-[[[(3,4-dichlorophenyl)methyl]methylamino]carbonyl]-2,5-dihydro-3-hydroxy-2-oxo-1H-pyrrol-1-yl]methyl]-, methyl estermethyl 4-[[3-[(3,4-dichlorophenyl)methyl-methyl-carbamoyl]-4-hydroxy-5-oxo-2H-pyrrol-1-yl]methyl]benzoate

데이터베이스 식별자

PubChem CID
54698210

물성

구조 계산 물성

XLogP
3.5
극성 표면적
87.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
7
무거운 원자 수
31

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