3-({1-[bis(4-chlorophenyl)methyl]azetidin-3-ylidene}methanesulfonylmethyl)-N-(1-ethylpyrrolidin-2-ylmethyl)benzamide

HCID 69635683

기본 정보

표준 SMILES
CCN1CCCC1CNC(=O)c1cccc(CS(=O)(=O)C=C2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)c1
InChIKey
KTDXDPJKASEDKT-UHFFFAOYSA-N
분자식
C32H35Cl2N3O3S
평균 분자량
612.6 g/mol

이름 및 식별자

우선 이름
3-({1-[bis(4-chlorophenyl)methyl]azetidin-3-ylidene}methanesulfonylmethyl)-N-(1-ethylpyrrolidin-2-ylmethyl)benzamide
IUPAC
3-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-ylidene]methylsulfonylmethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide

이름 및 동의어

SCHEMBL6011661KTDXDPJKASEDKT-UHFFFAOYSA-N3-({-[bis(4-chlorophenyl)methyl]azetidin-3-ylidene}methanesulfonylmethyl)-N-(1-ethylpyrrolidin-2-ylmethyl)benzamide3-({1-[bis(4-chlorophenyl)methyl]azetidin-3-ylidene}methane-sulfonylmethyl)-N-(1-ethylpyrrolidin-2-ylmethyl)benzamide3-({1-[bis(4-chlorophenyl)methyl]azetidin-3-ylidene}methanesulfonylmethyl)-N-(1-ethylpyrrolidin-2-ylmethyl)benzamide

데이터베이스 식별자

PubChem CID
69635683

물성

구조 계산 물성

XLogP
5.2
극성 표면적
78.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
10
무거운 원자 수
41

관련 반응

4건

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