(S)-4-(2-(5-fluoro-6-methoxypyridin-3-ylamino)-5-((2-methyl-4-(methylsulfonyl)piperazin-1-yl)methyl)pyridin-3-yl)-N,N-bis(4-methoxybenzyl)-6-methyl-1,3,5-triazin-2-amine
기본 정보
- 표준 SMILES
COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(CN4CCN(S(C)(=O)=O)C[C@@H]4C)cnc3Nc3cnc(OC)c(F)c3)n2)cc1- InChIKey
UTLKHMPIVADETG-VWLOTQADSA-N- 분자식
- C38H44FN9O5S
- 평균 분자량
- 757.9 g/mol
- 단동위원소 질량
- 757.31701487
이름 및 식별자
- 우선 이름
- (S)-4-(2-(5-fluoro-6-methoxypyridin-3-ylamino)-5-((2-methyl-4-(methylsulfonyl)piperazin-1-yl)methyl)pyridin-3-yl)-N,N-bis(4-methoxybenzyl)-6-methyl-1,3,5-triazin-2-amine
- IUPAC
- 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine
이름 및 동의어
SCHEMBL167495UTLKHMPIVADETG-VWLOTQADSA-N(S)-4-(2-(5-fluoro-6-methoxypyridin-3-ylamino)-5-((2-methyl-4-(methylsulfonyl)piperazin-1-yl)methyl)pyridin-3-yl)-N,N-bis(4-methoxybenzyl)-6-methyl-1,3,5-triazin-2-amine
데이터베이스 식별자
- PubChem CID
- 66611628
물성
구조 계산 물성
- XLogP
- 4.9
- 극성 표면적
- 156 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 54
- 형식 전하
- 0
- 복잡도
- 1,210
관련 반응
4건
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