Tert-butyl 4-((4-((4-((2-(chloromethyl)allyl)oxy)benzyl)amino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl)amino)benzoate (HCID 90102385)

기본 정보

표준 SMILES: C=C(CCl)COc1ccc(CNc2nc(Nc3ccc(C(=O)OC(C)(C)C)cc3)nc(OCC(F)(F)F)n2)cc1
InChIKey: WIHXVDMRTAJNOF-UHFFFAOYSA-N
분자식: C27H29ClF3N5O4
평균 분자량: 580 g/mol
단동위원소 질량: 579.1860166

이름 및 식별자

우선 이름: Tert-butyl 4-((4-((4-((2-(chloromethyl)allyl)oxy)benzyl)amino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl)amino)benzoate
IUPAC: tert-butyl 4-[[4-[[4-[2-(chloromethyl)prop-2-enoxy]phenyl]methylamino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoate

이름 및 동의어

tert-butyl 4-((4-((4-((2-(chloromethyl)allyl)oxy)benzyl)amino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl)amino)benzoateSCHEMBL15648857tert-butyl 4-(4-(4-(2-(chloromethyl)allyloxy)benzylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-ylamino)benzoatetert-butyl4-((4-((4-((2-(chloromethyl)allyl)oxy)benzyl)amino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl)amino)benzoate

데이터베이스 식별자

PubChem CID: 90102385

물성

구조 계산 물성

XLogP: 7.2
극성 표면적: 107 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 12
회전 가능 결합 수: 14
무거운 원자 수: 40
형식 전하: 0
복잡도: 800

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