기본 정보
- 표준 SMILES
Cc1nc(C(F)(F)F)ccc1Cn1nc(NN)c(-c2ccc(Cl)cc2)c(-c2ccc(C#N)cc2)c1=O- InChIKey
GHKAWHHAUZAZDB-UHFFFAOYSA-N- 분자식
- C25H18ClF3N6O
- 평균 분자량
- 510.9 g/mol
이름 및 식별자
- 우선 이름
- 4-(5-(4-Chlorophenyl)-6-hydrazinyl-2-((2-methyl-6-(trifluoromethyl)pyridin-3-yl)methyl)-3-oxo-2,3-dihydropyridazin-4-yl)benzonitrile
- IUPAC
- 4-[5-(4-chlorophenyl)-6-hydrazinyl-2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-oxopyridazin-4-yl]benzonitrile
이름 및 동의어
4-(5-(4-chlorophenyl)-6-hydrazinyl-2-((2-methyl-6-(trifluoromethyl)pyridin-3-yl)methyl)-3-oxo-2,3-dihydropyridazin-4-yl)benzonitrileSCHEMBL17070144-(5-(4-chlorophenyl)-6-hydrazinyl-2-((2-methyl-6-(trifluoromethyl) pyridin-3-yl)methyl)-3-oxo-2,3-dihydropyridazin-4-yl) benzonitrile4-(5-(4-chlorophenyl)-6-hydrazinyl-2-((2-methyl-6-(trifluoromethyl)pyridin-3-yl)methyl)-3-oxo-2,3-dihydropyridazin-4-yl) benzonitrile
데이터베이스 식별자
- PubChem CID
- 67128729
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 107 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 928
관련 반응
13건
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