3-((2-(3-Chloro-4-((5-(2-(4-chloro-3-methoxyphenyl)propan-2-yl)-1-(4-fluorophenyl)-1H-imidazol-2-ylthio)methyl)-5-fluorobenzamido)ethyl)dimethylammonio)-propane-1-sulfonate
기본 정보
- 표준 SMILES
COc1cc(C(C)(C)c2cnc(SCc3c(F)cc(C(=O)NCC[N+](C)(C)CCCS(=O)(=O)[O-])cc3Cl)n2-c2ccc(F)cc2)ccc1Cl- InChIKey
TXDRRJOMCUHXLJ-UHFFFAOYSA-N- 분자식
- C34H38Cl2F2N4O5S2
- 평균 분자량
- 755.7 g/mol
이름 및 식별자
- 우선 이름
- 3-((2-(3-Chloro-4-((5-(2-(4-chloro-3-methoxyphenyl)propan-2-yl)-1-(4-fluorophenyl)-1H-imidazol-2-ylthio)methyl)-5-fluorobenzamido)ethyl)dimethylammonio)-propane-1-sulfonate
- IUPAC
- 3-[2-[[3-chloro-4-[[5-[2-(4-chloro-3-methoxyphenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]-5-fluorobenzoyl]amino]ethyl-dimethylazaniumyl]propane-1-sulfonate
이름 및 동의어
SCHEMBL15380797TXDRRJOMCUHXLJ-UHFFFAOYSA-N3-((2-(3-Chloro-4-((5-(2-(4-chloro-3-methoxyphenyl)propan-2-yl)-1-(4-fluorophenyl)-1H-imidazol-2-ylthio)methyl)-5-fluorobenzamido)ethyl)dimethylammonio)-propane-1-sulfonate
데이터베이스 식별자
- PubChem CID
- 53252389
물성
구조 계산 물성
- XLogP
- 6.8
- 극성 표면적
- 147 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 49
- 형식 전하
- 0
- 복잡도
- 1,160
관련 반응
1건
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