기본 정보
- 표준 SMILES
COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(CN4CCN(C(=O)N(C)C(C)C)CC4)cnc3Nc3cnc(OC)c(F)c3)n2)cc1- InChIKey
BONHQLMMZGRTAB-UHFFFAOYSA-N- 분자식
- C41H49FN10O4
- 평균 분자량
- 764.9 g/mol
이름 및 식별자
- 우선 이름
- 4-((5-(4-(Bis(4-methoxybenzyl)amino)-6-methyl-1,3,5-triazin-2-yl)-6-(5-fluoro-6-methoxypyridin-3-ylamino)pyridin-3-yl)methyl)-n-isopropyl-n-methylpiperazine-1-carboxamide
- IUPAC
- 4-[[5-[4-[bis[(4-methoxyphenyl)methyl]amino]-6-methyl-1,3,5-triazin-2-yl]-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methyl]-N-methyl-N-propan-2-ylpiperazine-1-carboxamide
이름 및 동의어
SCHEMBL164033BONHQLMMZGRTAB-UHFFFAOYSA-N4-((5-(4-(bis(4-methoxybenzyl)amino)-6-methyl-1,3,5-triazin-2-yl)-6-(5-fluoro-6-methoxypyridin-3-ylamino)pyridin-3-yl)methyl)-N-is opropyl-N-methylpiperazine-1-carboxamide4-((5-(4-(bis(4-methoxybenzyl)amino)-6-methyl-1,3,5-triazin-2-yl)-6-(5-fluoro-6-methoxypyridin-3-ylamino)pyridin-3-yl)methyl)-n-isopropyl-n-methylpiperazine-1-carboxamide
데이터베이스 식별자
- PubChem CID
- 66610599
물성
구조 계산 물성
- XLogP
- 5.5
- 극성 표면적
- 134 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 56
- 형식 전하
- 0
- 복잡도
- 1,150
관련 반응
2건
화합물 노트
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