기본 정보
- 표준 SMILES
COc1ccc(Nc2nc(NC3CCCCCC3)nc(OC(C)C)n2)cc1Cl- InChIKey
LQTRFOUPAZIUHJ-UHFFFAOYSA-N- 분자식
- C20H28ClN5O2
- 평균 분자량
- 405.9 g/mol
이름 및 식별자
- 우선 이름
- 6-isopropoxy-N-(3-Chloro-4-methoxyphenyl)-N'-cycloheptyl-[1,3,5]triazine-2,4-diamine
- IUPAC
- 4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
이름 및 동의어
SCHEMBL4832501LQTRFOUPAZIUHJ-UHFFFAOYSA-N6-isopropoxy-N-(3-Chloro-4-methoxy phenyl)-N'-cyclo heptyl-[1,3,5] triazine-2,4 diamine6-isopropoxy-N-(3-Chloro-4-methoxy phenyl)-N'-cyclo heptyl-[1,3,5]triazine-2,4 diamine6-isopropoxy-N-(3-Chloro-4-methoxy phenyl)-N'-cyclo heptyl-[1,3,5]triazine-2,4diamine6-isopropoxy-N-(3-Chloro-4-methoxy phenyl)-N'-cycloheptyl-[1,3,5] triazine-2,4 diamine6-isopropoxy-N-(3-Chloro-4-methoxy phenyl)-N'-cycloheptyl-[1,3,5]triazine-2,4 diamine6-isopropoxy-N-(3-Chloro-4-methoxyphenyl)-N'-cycloheptyl-[1,3,5]triazine-2,4 diamine6-isopropoxy-N-(3-Chloro-4-methoxyphenyl)-N'-cycloheptyl-[1,3,5]triazine-2,4-diamine6-isopropoxy-N-(3-Chloro-4-methoxyphenyl)-N'-cycloheptyl-[1,3,5]triazine-2,4diamineN2-(3-chloro-4-methoxyphenyl)-N4-cycloheptyl-6-isopropoxy-1,3,5-triazine-2,4-diamine
데이터베이스 식별자
- PubChem CID
- 11495145
물성
구조 계산 물성
- XLogP
- 6.2
- 극성 표면적
- 81.2 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 450
관련 반응
20건
화합물 노트
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