2-[1-(3,4,5-Trimethoxy-benzoyl)-3-(3,4-dichloro-phenyl)-pyrrolidin-3-yl]-ethyl-methanesulfonate

HCID 86750906

기본 정보

표준 SMILES
COc1cc(C(=O)N2CCC(CCCS(=O)(=O)[O-])(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC
InChIKey
BVLMDFUNFSHNSC-UHFFFAOYSA-M
분자식
C23H26Cl2NO7S-
평균 분자량
531.4 g/mol

이름 및 식별자

우선 이름
2-[1-(3,4,5-Trimethoxy-benzoyl)-3-(3,4-dichloro-phenyl)-pyrrolidin-3-yl]-ethyl-methanesulfonate
IUPAC
3-[3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]propane-1-sulfonate

이름 및 동의어

2-[3-(3,4-dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl)-ethyl-methanesulfonate2-[3-(3,4-dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl-methanesulfonateBVLMDFUNFSHNSC-UHFFFAOYSA-M(+)-2-[3-(3,4-dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl-methanesulfonate2-[1-(3,4,5-trimethoxy-benzoyl)-3-(3,4-dichloro-phenyl)-pyrrolidin-3-yl]-ethyl-methanesulfonate2-[3-(3,4-dichloro-phenyl)-1(3,4,5-trimethoxy-benzoyl)-pyrrolidin -3-yl]-ethyl-methanesulfonate2-[3-(3,4-dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl) -pyrrolidin-3-yl]-ethyl-methanesulfonate2-[3-(3,4-dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin -3-yl]-ethyl-methanesulfonate2-[3-(3,4-dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3yl]-ethyl-methanesulfonate2-[3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxybenzoyl)-pyrrolidin-3-yl]-ethyl-methanesulfonate

데이터베이스 식별자

PubChem CID
86750906

물성

구조 계산 물성

XLogP
4
극성 표면적
114 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
7
회전 가능 결합 수
8
무거운 원자 수
34

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