N-(3-Chloro-4-methoxy-phenyl)-N'-cycloheptyl-N''-methyl-N''-(1-methyl-piperidin-4-yl)-[1,3,5]triazine-2,4,6-triamine

HCID 21896974

기본 정보

표준 SMILES
COc1ccc(Nc2nc(NC3CCCCCC3)nc(N(C)C3CCN(C)CC3)n2)cc1Cl
InChIKey
ZYYJJEMIFCPDME-UHFFFAOYSA-N
분자식
C24H36ClN7O
평균 분자량
474 g/mol
단동위원소 질량
473.2669865

이름 및 식별자

우선 이름
N-(3-Chloro-4-methoxy-phenyl)-N'-cycloheptyl-N''-methyl-N''-(1-methyl-piperidin-4-yl)-[1,3,5]triazine-2,4,6-triamine
IUPAC
6-N-(3-chloro-4-methoxyphenyl)-4-N-cycloheptyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

이름 및 동의어

SCHEMBL4829075ZYYJJEMIFCPDME-UHFFFAOYSA-NN-(3-Chloro-4-methoxy-phenyl)-N'-cycloheptyl-N''-methyl-N''-(1-methyl-piperidin-4-yl)-[1,3,5]triazine-2,4,6-triamineN-(3-chloro-4-methoxyphenyl)-N'-cycloheptyl-N''-methyl-N''-(1-methyl piperidin-4-yl)[1,3,5]triazine-2,4,6-triamineN-(3-chloro-4-methoxyphenyl)-N'-cycloheptyl-N''-methyl-N''-(1-methylpiperidin-4-yl)[1,3,5]triazine-2,4,6-triamineN-(3-chloro-4-methoxypheyl)-N'-cycloheptyl-N''-methyl-N''-(1-methyl piperidin-4-yl)[1,3,5]triazine-2,4,6-triamine

데이터베이스 식별자

PubChem CID
21896974

물성

구조 계산 물성

XLogP
6.2
극성 표면적
78.4 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
8
회전 가능 결합 수
7
무거운 원자 수
33

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23건

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