4-(4-(3-(4-bromo-3-(trifluoromethyl)phenyl)ureido)phenoxy)-N-methylpicolinamide
기본 정보
- 표준 SMILES
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Br)c(C(F)(F)F)c3)cc2)ccn1- InChIKey
WINHEDROZCCEOE-UHFFFAOYSA-N- 분자식
- C21H16BrF3N4O3
- 평균 분자량
- 509.3 g/mol
이름 및 식별자
- 우선 이름
- 4-(4-(3-(4-bromo-3-(trifluoromethyl)phenyl)ureido)phenoxy)-N-methylpicolinamide
- IUPAC
- 4-[4-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
이름 및 동의어
CHEMBL3507474-(4-(3-(4-bromo-3-(trifluoromethyl)phenyl)ureido)phenoxy)-N-methylpicolinamideSCHEMBL549001BDBM50139601DB-1265531-(4-(2-(methylcarbamoyl)pyridin-4-yloxy)phenyl)-3-(4-bromo-3-(trifluoromethyl)phenyl)urea1-(4-bromo-3-(trifluoromethyl)phenyl)-3-(4-(2-(methylcarbamoyl)pyridin-4-yloxy)phenyl)urea284462-18-64-{4-[3-(4-Bromo-3-trifluoromethyl-phenyl)-ureido]-phenoxy}-pyridine-2-carboxylic acid methylamideN-(4-bromo-3-(trifluoromethyl)phenyl)- N'-(4-(2-(N-methylcarbamoyl)-4-pyridyloxy)phenyl) ureaN-(4-bromo-3-(trifluoromethyl)phenyl)-N'-(4-(2-(N-methylcarbamoyl)-4-pyridyloxy)phenyl) ureaN-(4-bromo-3-(trifluoromethyl)phenyl)-N'-(4-(2-(N-methylcarbamoyl)-4-pyridyloxy)phenyl)urea
데이터베이스 식별자
- PubChem CID
- 9849174
- ChEMBL
CHEMBL350747- Nikkaji
- J2.048.446B
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 92.4 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 646
관련 반응
8건
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