Diethyl 5-methyl-3-({[7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl]carbonyl}amino)-2,4-thiophenedicarboxylate
기본 정보
- CAS
330950-17-9- 표준 SMILES
CCOC(=O)c1sc(C)c(C(=O)OCC)c1NC(=O)c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3- InChIKey
UETWTAZHJXVTFN-UHFFFAOYSA-N- 분자식
- C27H23F3N4O5S
- 평균 분자량
- 572.6 g/mol
이름 및 식별자
- 우선 이름
- Diethyl 5-methyl-3-({[7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl]carbonyl}amino)-2,4-thiophenedicarboxylate
- IUPAC
- diethyl 5-methyl-3-[[11-(trifluoromethyl)-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,13,15-heptaene-14-carbonyl]amino]thiophene-2,4-dicarboxylate
- 영어명
- diethyl 5-methyl-3-({[7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl]carbonyl}amino)-2,4-thiophenedicarboxylate
- 분자식
- C27H23F3N4O5S
- 분자량
- 572.56
이름 및 동의어
diethyl 5-methyl-3-({[7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl]carbonyl}amino)-2,4-thiophenedicarboxylateSTK343790AKOS003278209ST50708173AG-219/12748047diethyl 5-methyl-3-({[7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl]carbonyl}amino)thiophene-2,4-dicarboxylatediethyl 5-methyl-3-[[11-(trifluoromethyl)-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,13,15-heptaene-14-carbonyl]amino]thiophene-2,4-dicarboxylateethyl 5-(ethoxycarbonyl)-2-methyl-4-{[7-(trifluoromethyl)(5,6,8-trihydrobenzo[ h]pyrazolo[5,1-b]quinazolin-10-yl)]carbonylamino}thiophene-3-carboxylate2,4-Thiophenedicarboxylic acid, 3-[[[5,6-dihydro-7-(trifluoromethyl)benzo[h]pyrazolo[5,1-b]quinazolin-10-yl]carbonyl]amino]-5-methyl-, 2,4-diethyl ester
데이터베이스 식별자
- CAS
330950-17-9
물성
구조 계산 물성
- XLogP
- 5.8
- 극성 표면적
- 140 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 973
물리화학적 성질
- 밀도
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 6.51 · 6.51±0.20(Predicted)
관련 반응
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