기본 정보
- 표준 SMILES
CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(C(F)(F)F)c5)cc4)c3c2)o1- InChIKey
AERGSELXAOHCKG-UHFFFAOYSA-N- 분자식
- C30H27F3N4O4S
- 평균 분자량
- 596.6 g/mol
이름 및 식별자
- 우선 이름
- N-(4-(3-(trifluoromethyl)benzyloxy)phenyl)-6-(5-((2-(methylsulfonyl)ethylamino)methyl)furan-2-yl)quinazolin-4-amine
- IUPAC
- 6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]quinazolin-4-amine
이름 및 동의어
CHEMBL214419N-(4-(3-(trifluoromethyl)benzyloxy)phenyl)-6-(5-((2-(methylsulfonyl)ethylamino)methyl)furan-2-yl)quinazolin-4-amineSCHEMBL2103884BDBM50189125NSC756254NSC-756254SDCCGGSK-0000345.P001NCGC00242179-01AB01092309-016-(5-(((2-(Methylsulfonyl)ethyl)amino)methyl)furan-2-yl)-N-(4-((3-(trifluoromethyl)benzyl)oxy)phenyl)quinazolin-4-amine6-[5-({[2-(methanesulphonyl)ethyl]amino}methyl)-2-furyl]-N-(4-{[3-(trifiuoromethyl) benzyl]oxy}phenyl)-4-quinazolinamine6-[5-({[2-(methanesulphonyl)ethyl]amino}methyl)-2-furyl]-N-(4-{[3-(trifluoromethyl) benzyl]oxy}phenyl)-4-quinazolinamine
이름 더 보기
6-[5-({[2-(methanesulphonyl)ethyl]amino}methyl)-2-furyl]-N-(4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)-4-quinazolinamine
데이터베이스 식별자
- PubChem CID
- 9808725
- ChEMBL
CHEMBL214419
물성
구조 계산 물성
- XLogP
- 5.3
- 극성 표면적
- 115 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 944
관련 반응
6건
화합물 노트
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