Ethyl 2-{2-methyl-4-[({4-methyl-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methyl)sulfanyl]phenoxy}acetate
기본 정보
- CAS
317318-83-5- 표준 SMILES
CCOC(=O)COc1ccc(SCc2sc(-c3ccc(C(F)(F)F)c(F)c3)nc2C)cc1C- InChIKey
CGWGBCXBRDTMFS-UHFFFAOYSA-N- 분자식
- C23H21F4NO3S2
- 평균 분자량
- 499.5 g/mol
- 단동위원소 질량
- 499.08989853
이름 및 식별자
- 우선 이름
- Ethyl 2-{2-methyl-4-[({4-methyl-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methyl)sulfanyl]phenoxy}acetate
- IUPAC
- ethyl 2-[4-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-2-methylphenoxy]acetate
이름 및 동의어
ethyl 2-{2-methyl-4-[({4-methyl-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methyl)sulfanyl]phenoxy}acetateSCHEMBL5681507DTXSID901108595317318-83-5Ethyl 2-[4-[[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-5-thiazolyl]methyl]thio]-2-methylphenoxy]acetate
데이터베이스 식별자
- CAS
317318-83-5- PubChem CID
- 9913867
- DTXSID
DTXSID901108595
물성
구조 계산 물성
- XLogP
- 6.7
- 극성 표면적
- 102 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 641
관련 반응
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