Diethyl 3-methyl-5-[(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]thiophene-2,4-dicarboxylate
기본 정보
- CAS
312635-09-9- 표준 SMILES
CCOC(=O)c1sc(NC(=O)c2cc3nc(-c4ccccc4)cc(C)n3n2)c(C(=O)OCC)c1C- InChIKey
COUGQZYMLVVQRV-UHFFFAOYSA-N- 분자식
- C25H24N4O5S
- 평균 분자량
- 492.5 g/mol
이름 및 식별자
- 우선 이름
- Diethyl 3-methyl-5-[(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]thiophene-2,4-dicarboxylate
- IUPAC
- diethyl 3-methyl-5-[(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]thiophene-2,4-dicarboxylate
- 영어명
- diethyl 3-methyl-5-{[(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)carbonyl]amino}-2,4-thiophenedicarboxylate
- 분자식
- C25H24N4O5S
- 분자량
- 492.55
이름 및 동의어
diethyl 3-methyl-5-[(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]thiophene-2,4-dicarboxylatediethyl 3-methyl-5-{[(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)carbonyl]amino}-2,4-thiophenedicarboxylateOprea1_290809Oprea1_755445STK838906AKOS005222517AG-690/11156049312635-09-9diethyl 3-methyl-5-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamido)thiophene-2,4-dicarboxylatediethyl 3-methyl-5-{[(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)carbonyl]amino}thiophene-2,4-dicarboxylate2,4-Thiophenedicarboxylic acid, 3-methyl-5-[[(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)carbonyl]amino]-, 2,4-diethyl ester
데이터베이스 식별자
- CAS
312635-09-9
물성
구조 계산 물성
- XLogP
- 5.3
- 극성 표면적
- 140 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 779
물리화학적 성질
- 밀도
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 6.02 · 6.02±0.46(Predicted)
관련 반응
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