2-(2-Chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}phenol

HCID 12115507

기본 정보

표준 SMILES
Cn1c(C(F)(F)F)cc(=O)n(-c2cc(Oc3ccccc3O)c(Cl)cc2F)c1=O
InChIKey
MZCRXKRKAGVBBW-UHFFFAOYSA-N
분자식
C18H11ClF4N2O4
평균 분자량
430.7 g/mol

이름 및 식별자

우선 이름
2-(2-Chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}phenol
IUPAC
3-[4-chloro-2-fluoro-5-(2-hydroxyphenoxy)phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

이름 및 동의어

2-(2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}phenol2-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy)phenol2-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}phenolSCHEMBL15272842-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1, 2,3,6-tetrahy dropyrimidin-1-yl]phenoxy}phenol2-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahy dropyrimidin-1-yl]phenoxy}phenol2-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]-phenoxy}phenol

데이터베이스 식별자

PubChem CID
12115507

물성

구조 계산 물성

XLogP
3.7
극성 표면적
70.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
8
회전 가능 결합 수
3
무거운 원자 수
29

관련 반응

30건

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