Ethyl {3-[(4-bromo-2-fluorophenyl)methyl]-7-chloro-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl}acetate

HCID 11431340

기본 정보

CAS
112733-28-5
표준 SMILES
CCOC(=O)Cn1c(=O)n(Cc2ccc(Br)cc2F)c(=O)c2ccc(Cl)cc21
InChIKey
FQXIRXTVFVCJFQ-UHFFFAOYSA-N
분자식
C19H15BrClFN2O4
평균 분자량
469.7 g/mol
단동위원소 질량
467.98877496

이름 및 식별자

우선 이름
Ethyl {3-[(4-bromo-2-fluorophenyl)methyl]-7-chloro-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl}acetate
IUPAC
ethyl 2-[3-[(4-bromo-2-fluorophenyl)methyl]-7-chloro-2,4-dioxoquinazolin-1-yl]acetate
영어명
Ethyl [3-(4-bromo-2-fluorobenzyl)-7-chloro-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl]acetate
분자식
C19H15BrClFN2O4
분자량
469.69

이름 및 동의어

112733-28-5Ethyl {3-[(4-bromo-2-fluorophenyl)methyl]-7-chloro-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl}acetateFQXIRXTVFVCJFQ-UHFFFAOYSA-Nethyl 2-[3-(4-bromo-2-fluorobenzyl)-7-chloro-1,2,3,4-tetrahydro-2,4-dioxoquinazolin-1-yl)acetateethyl 2-[3-(4-bromo-2-fluorobenzyl)-7-chloro-1,2,3,4-tetrahydro-2,4-dioxoquinazolin-1-yl]acetateethyl 2-[3-[(4-bromo-2-fluorophenyl)methyl]-7-chloro-2,4-dioxoquinazolin-1-yl]acetateSCHEMBL7860390DTXSID20465652ethyl 2-[3-(4-bromo-2-fluorobenzyl)-7-chloro-1,2,3,4-tetrahydro-2,4-dioxoquinazolin-1-yl]-acetateethyl 2-(3-(4-bromo-2-fluorobenzyl)-7-chloro-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl)acetateEthyl [3-(4-bromo-2-fluorobenzyl)-7-chloro-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl]acetate1(2H)-Quinazolineacetic acid, 3-[(4-bromo-2-fluorophenyl)methyl]-7-chloro-3,4-dihydro-2,4-dioxo-, ethyl ester

데이터베이스 식별자

CAS
112733-28-5
PubChem CID
11431340
DTXSID
DTXSID20465652
Nikkaji
J2.940.084I

물성

구조 계산 물성

XLogP
4
극성 표면적
66.9 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
5
회전 가능 결합 수
6
무거운 원자 수
28

물리화학적 성질

끓는 점
577.1 · 577.1±60.0 °C(Predicted)
밀도
1.586 · 1.586±0.06 g/cm3(Predicted)
산도 계수 (pKa)
-2.74 · -2.74±0.20(Predicted)

화학 및 산업

공급사1 곳

济南睿思医药技术有限公司0531-0531-69900633 19963472814 · [email protected]

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