기본 정보
- 표준 SMILES
CCOC(=O)c1sc(N2CCC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)nc1C(F)(F)F- InChIKey
LCTWSLPTUCMWBG-UHFFFAOYSA-N- 분자식
- C18H13Cl3F6N2O2S
- 평균 분자량
- 541.7 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 2-[3-(3,4,5-trichlorophenyl)-3-(trifluoro-methyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
- IUPAC
- ethyl 2-[3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
이름 및 동의어
ethyl 2-[3-(3,4,5-trichlorophenyl)-3-(trifluoro-methyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylateSCHEMBL2312752Ethyl 2-[3-(3,4,5-tri chlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]-4-(tri-fluoromethyl)-1,3-thiazole-5-carboxylateEthyl 2-[3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]-4-(tri-fluoromethyl)-1,3-thiazole-5-carboxylate
데이터베이스 식별자
- PubChem CID
- 59453365
물성
구조 계산 물성
- XLogP
- 7.8
- 극성 표면적
- 70.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 691
관련 반응
10건
화합물 노트
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