{5-[4'-(1-Methanesulfonylaminocarbonyl-cyclopropyl)-3-methoxy-biphenyl-4-yl]-3-methyl-isoxazol-4-yl}-carbamic acid (R)-1-(3-trifluoromethyl-phenyl)-ethyl ester
기본 정보
- 표준 SMILES
COc1cc(-c2ccc(C3(C(=O)NS(C)(=O)=O)CC3)cc2)ccc1-c1onc(C)c1NC(=O)O[C@H](C)c1cccc(C(F)(F)F)c1- InChIKey
YESFCBZQOWPOFX-LJQANCHMSA-N- 분자식
- C32H30F3N3O7S
- 평균 분자량
- 657.7 g/mol
이름 및 식별자
- 우선 이름
- {5-[4'-(1-Methanesulfonylaminocarbonyl-cyclopropyl)-3-methoxy-biphenyl-4-yl]-3-methyl-isoxazol-4-yl}-carbamic acid (R)-1-(3-trifluoromethyl-phenyl)-ethyl ester
- IUPAC
- [(1R)-1-[3-(trifluoromethyl)phenyl]ethyl] N-[5-[2-methoxy-4-[4-[1-(methylsulfonylcarbamoyl)cyclopropyl]phenyl]phenyl]-3-methyl-1,2-oxazol-4-yl]carbamate
이름 및 동의어
{5-[4'-(1-Methanesulfonylaminocarbonyl-cyclopropyl)-3-methoxy-biphenyl-4-yl]-3-methyl-isoxazol-4-yl}-carbamic acid (R)-1-(3-trifluoromethyl-phenyl)-ethyl esterSCHEMBL343061
데이터베이스 식별자
- PubChem CID
- 49839052
물성
구조 계산 물성
- XLogP
- 5.5
- 극성 표면적
- 145 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 46
- 형식 전하
- 0
- 복잡도
- 1,190
관련 반응
2건
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