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
- 형식 전하
- 0
- 복잡도
- 571
관련 반응
23건
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