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
- 형식 전하
- -1
- 복잡도
- 767
관련 반응
136건
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