기본 정보
- 표준 SMILES
O=C(N[C@](Cc1ccccc1)(c1ccc(F)cc1)c1cc(F)cc(OC(F)(F)C(F)F)c1)C1=NOC(C(O)(C(F)(F)F)C(F)(F)F)C1- InChIKey
OWGIKVDJGRSQLN-NRWPOFLRSA-N- 분자식
- C29H20F12N2O4
- 평균 분자량
- 688.5 g/mol
이름 및 식별자
- 우선 이름
- n-((r)-1-(3-Fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl)-1-(4-fluorophenyl)-2-phenylethyl)-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4,5-dihydroisoxazole-3-carboxamide
- IUPAC
- N-[(1R)-1-(4-fluorophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide
이름 및 동의어
n-((r)-1-(3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl)-1-(4-fluorophenyl)-2-phenylethyl)-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4,5-dihydroisoxazole-3-carboxamideSCHEMBL760146
데이터베이스 식별자
- PubChem CID
- 59458474
물성
구조 계산 물성
- XLogP
- 7.8
- 극성 표면적
- 80.2 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 17
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 47
- 형식 전하
- 0
- 복잡도
- 1,090
관련 반응
3건
화합물 노트
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