(4-(3-Fluorobenzyloxy)-3-chlorophenyl)-(6-(2-((2-iso-propyl-sulphonyl-ethylamino)-methyl)-furan-2-yl)-quinazolin-4-yl)-amine

HCID 86599010

기본 정보

표준 SMILES
CC(C)C(CNCC1(c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)CC=CO1)=S(=O)=O
InChIKey
CKBZOCZULMBCBM-UHFFFAOYSA-N
분자식
C31H30ClFN4O4S
평균 분자량
609.1 g/mol

이름 및 식별자

우선 이름
(4-(3-Fluorobenzyloxy)-3-chlorophenyl)-(6-(2-((2-iso-propyl-sulphonyl-ethylamino)-methyl)-furan-2-yl)-quinazolin-4-yl)-amine
IUPAC
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[2-[[(3-methyl-2-sulfonylbutyl)amino]methyl]-3H-furan-2-yl]quinazolin-4-amine

이름 및 동의어

SCHEMBL4001300CKBZOCZULMBCBM-UHFFFAOYSA-N(4-(3-Fluorobenzyloxy)-3-chlorophenyl)-(6-(2-((2-iso-propyl-sulphonyl-ethylamino)-methyl)-furan-2-yl)-quinazolin-4-yl)-amine(4-(3-Fluorobenzyloxy)-3-chlorophenyl)-(6-(2-((2-isopropyl-sulphonyl-ethylamino)-methyl)-furan-2-yl)-quinazolin-4-yl)-amine

데이터베이스 식별자

PubChem CID
86599010

물성

구조 계산 물성

XLogP
5.7
극성 표면적
103 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
9
회전 가능 결합 수
11
무거운 원자 수
42

관련 반응

5건

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