기본 정보
- 표준 SMILES
Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc(C(N)=O)n1C- InChIKey
DXUDPKWKICSEHP-UHFFFAOYSA-N- 분자식
- C28H29F3N6O2
- 평균 분자량
- 538.6 g/mol
이름 및 식별자
- 우선 이름
- 1-methyl-5-({2-methyl-5-[({4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}carbonyl)amino]phenyl}ethynyl)-1H-imidazole-2-carboxamide
- IUPAC
- 1-methyl-5-[2-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]phenyl]ethynyl]imidazole-2-carboxamide
이름 및 동의어
1-methyl-5-({2-methyl-5-[({4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}carbonyl)amino]phenyl}ethynyl)-1H-imidazole-2-carboxamide1-methyl-5-({2-methyl-5-{[(4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}carbonyl)amino]phenyl}ethynyl)-1H-imidazole-2-carboxamideSCHEMBL4110313
데이터베이스 식별자
- PubChem CID
- 57737379
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 96.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 941
관련 반응
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