(R)-1-(2-fluoro-6-(trifluoromethyl)benzyl)-3-(2-amino-2-phenylethyl)-5-(2-chloro-3-methoxyphenyl)pyrimidine-2,4(1H,3H)-dione

HCID 11376252

기본 정보

표준 SMILES
COc1cccc(-c2cn(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c1Cl
InChIKey
CKNBKJGROXDJEP-QFIPXVFZSA-N
분자식
C27H22ClF4N3O3
평균 분자량
547.9 g/mol

이름 및 식별자

우선 이름
(R)-1-(2-fluoro-6-(trifluoromethyl)benzyl)-3-(2-amino-2-phenylethyl)-5-(2-chloro-3-methoxyphenyl)pyrimidine-2,4(1H,3H)-dione
IUPAC
3-[(2R)-2-amino-2-phenylethyl]-5-(2-chloro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione

이름 및 동의어

CHEMBL192955(R)-1-(2-fluoro-6-(trifluoromethyl)benzyl)-3-(2-amino-2-phenylethyl)-5-(2-chloro-3-methoxyphenyl)pyrimidine-2,4(1H,3H)-dioneSCHEMBL4025310BDBM501664413-((R)-2-Amino-2-phenyl-ethyl)-5-(2-chloro-3-methoxy-phenyl)-1-(2-fluoro-6-trifluoromethyl-benzyl)-1H-pyrimidine-2,4-dione3-[2(R)-amino-2-phenylethy]-5-(2-chloro-3-methoxyphenyl)-1-[2-fluoro-6-(trifluoromethyl)benzyl]pyrimidine-2,4(1H,3H)-dione3-[2(R)-amino-2-phenylethyl]-5-(2-chloro-3-methoxyphenyl)-1-[2-fluoro-6-(trifluoromethyl)benzyl]pyrimidine-2,4(1H,3H)-dione

데이터베이스 식별자

PubChem CID
11376252
ChEMBL
CHEMBL192955

물성

구조 계산 물성

XLogP
4.7
극성 표면적
75.9 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
8
회전 가능 결합 수
7
무거운 원자 수
38

관련 반응

9건

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