3-((R)-2-Amino-2-cyclohexyl-ethyl)-1-(2,6-difluoro-benzyl)-5-(2-fluoro-3-methoxy-phenyl)-6-methyl-1H-pyrimidine-2,4-dione

HCID 11180219

기본 정보

표준 SMILES
COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](N)C3CCCCC3)c2=O)c1F
InChIKey
PDUASMILNZLWQW-QFIPXVFZSA-N
분자식
C27H30F3N3O3
평균 분자량
501.5 g/mol

이름 및 식별자

우선 이름
3-((R)-2-Amino-2-cyclohexyl-ethyl)-1-(2,6-difluoro-benzyl)-5-(2-fluoro-3-methoxy-phenyl)-6-methyl-1H-pyrimidine-2,4-dione
IUPAC
3-[(2R)-2-amino-2-cyclohexylethyl]-1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4-dione

이름 및 동의어

CHEMBL326504SCHEMBL2704076PDUASMILNZLWQW-QFIPXVFZSA-NBDBM501492523-((R)-2-Amino-2-cyclohexyl-ethyl)-1-(2,6-difluoro-benzyl)-5-(2-fluoro-3-methoxy-phenyl)-6-methyl-1H-pyrimidine-2,4-dione3-[2(R)-amino-2-cyclohexylethyl]-5-(2-fluoro-3-methoxyphenyl)-1-[2,6-difluorobenzyl]-6-methyl-pyrimidine-2,4(1H,3H)-dione

데이터베이스 식별자

PubChem CID
11180219
ChEMBL
CHEMBL326504

물성

구조 계산 물성

XLogP
4.7
극성 표면적
75.9 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
7
회전 가능 결합 수
7
무거운 원자 수
36

관련 반응

6건

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