기본 정보
- 표준 SMILES
Clc1nc(Cl)nc(Nc2ccc(OCC(COc3ccc(Nc4nc(Cl)nc(Cl)n4)cc3)(COc3ccc(Nc4nc(Cl)nc(Cl)n4)cc3)COc3ccc(Nc4nc(Cl)nc(Cl)n4)cc3)cc2)n1- InChIKey
PFKMASXZOZHALD-UHFFFAOYSA-N- 분자식
- C41H28Cl8N16O4
- 평균 분자량
- 1,092.4 g/mol
- 단동위원소 질량
- 1,087.998765
이름 및 식별자
- 우선 이름
- 1,3-bis(4-[N-(2,4-dichloro-1,3,5-triazin-6-yl)amino]phenoxy)-2,2-bis[(4-[N-(2,4-dichloro-1,3,5-triazin-6-yl)amino]phenoxy)methyl]propane
- IUPAC
- 4,6-dichloro-N-[4-[3-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenoxy]-2,2-bis[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenoxy]methyl]propoxy]phenyl]-1,3,5-triazin-2-amine
이름 및 동의어
SCHEMBL5384004PFKMASXZOZHALD-UHFFFAOYSA-N1,3-bis(4-[n-(2,4-dichloro-1,3,5-triazin-6-yl) amino]phenoxy)-2,2-bis[(4-[n-(2,4-dichloro-1,3,5-triazin-6-yl)amino]phenoxy)methyl]propane1,3-bis(4-[n-(2,4-dichloro-1,3,5-triazin-6-yl)amino]phenoxy)-2,2-bis[(4-[n-(2,4-dichloro-1,3,5-triazin-6-yl) amino]phenoxy) methyl] propane1,3-bis(4-[n-(2,4-dichloro-1,3,5-triazin-6-yl)amino]phenoxy)-2,2-bis[(4-[n-(2,4-dichloro-1,3,5-triazin-6-yl) amino]phenoxy) methyl]propane1,3-bis(4-[N-(2,4-dichloro-1,3,5-triazin-6-yl)amino]phenoxy)-2,2-bis[(4-[N-(2,4-dichloro-1,3,5-triazin-6-yl)amino]phenoxy)methyl]propane1,3-bis(4-[n-(2,4-dichloro-1,3,5-triazin-6-yl)amino]phenoxy)-2,2-bis[(4-[n-(2,4-dichloro-1,3,5triazin-6-yl)amino]phenoxy)methyl]propane
데이터베이스 식별자
- PubChem CID
- 22015439
물성
구조 계산 물성
- XLogP
- 14.4
- 극성 표면적
- 240 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 20
- 회전 가능 결합 수
- 20
- 무거운 원자 수
- 69
- 형식 전하
- 0
- 복잡도
- 1,240
관련 반응
6건
연결된 노트
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