(2-{4-[3-({1-[Bis-(4-chlorophenyl)methyl] azetidin-3-ylidene} methanesulfonylmethyl)phenyl]piperazin-1-yl}-2-oxoethyl)carbamic acid tert-butyl ester

HCID 69635699

기본 정보

표준 SMILES
CC(C)(C)OC(=O)NCC(=O)N1CCN(c2cccc(CS(=O)(=O)C=C3CN(C(c4ccc(Cl)cc4)c4ccc(Cl)cc4)C3)c2)CC1
InChIKey
YOPCABUYDOOKRC-UHFFFAOYSA-N
분자식
C35H40Cl2N4O5S
평균 분자량
699.7 g/mol

이름 및 식별자

우선 이름
(2-{4-[3-({1-[Bis-(4-chlorophenyl)methyl] azetidin-3-ylidene} methanesulfonylmethyl)phenyl]piperazin-1-yl}-2-oxoethyl)carbamic acid tert-butyl ester
IUPAC
tert-butyl N-[2-[4-[3-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-ylidene]methylsulfonylmethyl]phenyl]piperazin-1-yl]-2-oxoethyl]carbamate

이름 및 동의어

SCHEMBL6011688YOPCABUYDOOKRC-UHFFFAOYSA-N(2-{4-[3-({1-[bis-(4-chlorophenyl)methyl] azetidin-3-ylidene} methanesulfonylmethyl)phenyl]piperazin-1-yl}-2-oxoethyl)carbamic acid tert-butyl ester(2-{4-[3-({1-[bis-(4-chlorophenyl)methyl]azetidin-3-ylidene}methane-sulfonylmethyl)phenyl]piperazin-1-yl}-2-oxoethyl)-carbamic acid tert-butyl ester(2-{4-[3-({1-[bis-(4-chlorophenyl)methyl]azetidin-3-ylidene}methanesulfonylmethyl)phenyl]piperazin-1-yl}-2-oxoethyl)carbamic acid tert-butyl ester

데이터베이스 식별자

PubChem CID
69635699

물성

구조 계산 물성

XLogP
5.1
극성 표면적
108 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
7
회전 가능 결합 수
11
무거운 원자 수
47

관련 반응

6건

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