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
- 형식 전하
- 0
- 복잡도
- 625
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]
관련 반응
12건
화합물 노트
불러오는 중…