n-(4-(5-((Benzyl(methyl)amino)methyl)-1-(2,6-difluorobenzyl)-3-(4-(1-hydroxy-1-methylethyl)phenyl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-6-yl)phenyl)-n'-methoxyurea

HCID 59000902

기본 정보

표준 SMILES
CONC(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccc(C(C)(C)O)cc2)c(=O)n3Cc2c(F)cccc2F)cc1
InChIKey
MYVNZIYUALDHCS-UHFFFAOYSA-N
분자식
C39H37F2N5O5S
평균 분자량
725.8 g/mol

이름 및 식별자

우선 이름
n-(4-(5-((Benzyl(methyl)amino)methyl)-1-(2,6-difluorobenzyl)-3-(4-(1-hydroxy-1-methylethyl)phenyl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-6-yl)phenyl)-n'-methoxyurea
IUPAC
1-[4-[5-[[benzyl(methyl)amino]methyl]-1-[(2,6-difluorophenyl)methyl]-3-[4-(2-hydroxypropan-2-yl)phenyl]-2,4-dioxothieno[2,3-d]pyrimidin-6-yl]phenyl]-3-methoxyurea

이름 및 동의어

SCHEMBL778228MYVNZIYUALDHCS-UHFFFAOYSA-Nn-(4-(5-((benzyl(methyl)amino)methyl)-1-(2,6-difluorobenzyl)-3-(4-(1-hydroxy-1-methylethyl)phenyl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-6-yl)phenyl)-n'-methoxyurea

데이터베이스 식별자

PubChem CID
59000902

물성

구조 계산 물성

XLogP
5.8
극성 표면적
143 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
9
회전 가능 결합 수
11
무거운 원자 수
52

관련 반응

4건

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