기본 정보
- 표준 SMILES
OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F- InChIKey
XNYMOOHZPFZFJE-UHFFFAOYSA-N- 분자식
- C24H20F7NO3
- 평균 분자량
- 503.4 g/mol
개요
inhibits cholesteryl ester transfer protein; structure in first source
이름 및 식별자
- 우선 이름
- 3-((3-Phenoxyphenyl)((3-(1,1,2,2-tetrafluoroethoxy)phenyl)methyl)amino)-1,1,1-trifluoro-2-propanol
- IUPAC
- 1,1,1-trifluoro-3-[3-phenoxy-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]anilino]propan-2-ol
이름 및 동의어
ylgucpd253-((3-phenoxyphenyl)((3-(1,1,2,2-tetrafluoroethoxy)phenyl)methyl)amino)-1,1,1-trifluoro-2-propanol3-[(3-phenoxyphenyl)[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]amino]-1,1,1-trifluoro-2-propanolRefChem:910823CHEMBL2979711,1,1-trifluoro-3-((3-phenoxyphenyl)(3-(1,1,2,2-tetrafluoroethoxy)benzyl)amino)propan-2-olSC-795SCHEMBL564716SCHEMBL82725771,1,1-Trifluoro-3-{(3-phenoxy-phenyl)-[3-(1,1,2,2-tetrafluoro-ethoxy)-benzyl]-amino}-propan-2-olBDBM50094513(2RS)-3-[(3-phenoxyphenyl)[[3-(1,1,2,2-tetrafluoroethoxy) phenyl]methyl]amino]-1,1,1-trifluoro-2-propanol
이름 더 보기
(2RS)-3-[(3-phenoxyphenyl)[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]amino]-1,1,1-trifluoro-2-propanol1,1,1-trifluoro-3-[3-phenoxy-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]anilino]propan-2-ol3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-phenoxyphenyl)amino)-1,1,1-trifluoropropan-2-ol3-[(3-phenoxyphenyl)[[3-(1,1,2,2-tetrafluoroethoxy) phenyl]-methyl]amino]-1,1,1-trifluoro-2-propanol3-[(3-phenoxyphenyl)[[3-(1,1,2,2-tetrafluoroethoxy) phenyl]methyl]amino]-1,1,1-trifluoro-2-propanol3-[(3-phenoxyphenyl)[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-methyl]amino]-1,1,1-trifluoro-2-propanol3[(3-phenoxyphenyl)[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]amino]-1,1,1-trifluoro-2-propanol
데이터베이스 식별자
- PubChem CID
- 9870704
- ChEMBL
CHEMBL297971- Nikkaji
- J1.474.250F
물성
구조 계산 물성
- XLogP
- 7.2
- 극성 표면적
- 41.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 631
관련 반응
34건
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