3-[(R)-2-amino-2-(2-hydroxy-phenyl)-ethyl]-1-(2-fluoro-6-trifluoromethyl-benzyl)-6-methyl-5-[4-(5-trifluoromethyl-furan-2-ylmethyl)-piperazin-1-yl]-1H-pyrimidine-2,4-dione

HCID 87285382
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Cc1c(N2CCN(Cc3ccc(C(F)(F)F)o3)CC2)c(=O)n(C[C@H](N)c2ccccc2O)c(=O)n1Cc1c(F)cccc1C(F)(F)F
InChIKey
YPFREUJKSNJOBU-DEOSSOPVSA-N
분자식
C31H30F7N5O4
평균 분자량
669.6 g/mol

이름 및 식별자

우선 이름
3-[(R)-2-amino-2-(2-hydroxy-phenyl)-ethyl]-1-(2-fluoro-6-trifluoromethyl-benzyl)-6-methyl-5-[4-(5-trifluoromethyl-furan-2-ylmethyl)-piperazin-1-yl]-1H-pyrimidine-2,4-dione
IUPAC
3-[(2R)-2-amino-2-(2-hydroxyphenyl)ethyl]-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-5-[4-[[5-(trifluoromethyl)furan-2-yl]methyl]piperazin-1-yl]pyrimidine-2,4-dione

이름 및 동의어

3-[(R)-2-amino-2-(2-hydroxy-phenyl)-ethyl]-1-(2-fluoro-6-trifluoromethyl-benzyl)-6-methyl-5-[4-(5-trifluoromethyl-furan-2-ylmethyl)-piperazin-1-yl]-1H-pyrimidine-2,4-dioneSCHEMBL1738679

데이터베이스 식별자

PubChem CID
87285382

물성

구조 계산 물성

XLogP
4.7
극성 표면적
106 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
14
회전 가능 결합 수
8
무거운 원자 수
47

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