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

HCID 21083724

기본 정보

표준 SMILES
COc1cccc(-c2cn(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](NC(=O)OC(C)(C)C)c3ccccc3)c2=O)c1Cl
InChIKey
LCDCTOYTSRVTFS-VWLOTQADSA-N
분자식
C32H30ClF4N3O5
평균 분자량
648 g/mol

이름 및 식별자

우선 이름
3-[2(R)-(tert-butoxycarbonylamino)-2-phenylethyl]-5-(2-chloro-3-methoxyphenyl)-1-[2-fluoro-6-(trifluoromethyl)benzyl]pyrimidine-2,4(1H,3H)-dione
IUPAC
tert-butyl N-[(1R)-2-[5-(2-chloro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]carbamate

이름 및 동의어

3-[2(R)-(tert-butoxycarbonylamino)-2-phenylethyl]-5-(2-chloro-3-methoxyphenyl)-1-[2-fluoro-6-(trifluoromethyl)benzyl]pyrimidine-2,4(1H,3H)-dioneSCHEMBL27027033-[2(R)-(tert-butoxycarbonylamino)-2-phenylethyl]-5-(2-chloro-3-methyoxyphenyl)-1-[2-fluoro-6-(trifluoromethyl)benzyl]pyrimidine-2,4(1H,3H)-dione

데이터베이스 식별자

PubChem CID
21083724

물성

구조 계산 물성

XLogP
6.3
극성 표면적
88.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
9
회전 가능 결합 수
10
무거운 원자 수
45

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6건

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