7-(2,4-dichlorophenyl)-2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-5-methylpyrazolo[1,5-a]pyrimidine
기본 정보
- CAS
439109-53-2- 표준 SMILES
Cc1cc(-c2ccc(Cl)cc2Cl)n2nc(-c3sccc3-n3c(C)ccc3C)cc2n1- InChIKey
GNPYMSCEENBGFT-UHFFFAOYSA-N- 분자식
- C23H18Cl2N4S
- 평균 분자량
- 453.4 g/mol
이름 및 식별자
- 우선 이름
- 7-(2,4-dichlorophenyl)-2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-5-methylpyrazolo[1,5-a]pyrimidine
- IUPAC
- 7-(2,4-dichlorophenyl)-2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-5-methylpyrazolo[1,5-a]pyrimidine
- 영어명
- 7-(2,4-Dichlorophenyl)-2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-5-methylpyrazolo[1,5-a]pyrimidine
- 분자식
- C23H18Cl2N4S
- 분자량
- 453.39
이름 및 동의어
439109-53-27-(2,4-dichlorophenyl)-2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-5-methylpyrazolo[1,5-a]pyrimidine1-{2-[7-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-2-yl]thiophen-3-yl}-2,5-dimethyl-1H-pyrrole7-(2,4-dichlorophenyl)-2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-5-methylpyrazolo[1,5-a]pyrimidineAKOS0050938325R-00857-(2,4-Dichlorophenyl)-2-(3-(2,5-dimethyl-1H-pyrrol-1-yl)thiophen-2-yl)-5-methylpyrazolo[1,5-a]pyrimidinePyrazolo[1,5-a]pyrimidine, 7-(2,4-dichlorophenyl)-2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-5-methyl-
데이터베이스 식별자
- CAS
439109-53-2
물성
구조 계산 물성
- XLogP
- 6.2
- 극성 표면적
- 63.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 602
물리화학적 성질
- 밀도
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -1.17 · -1.17±0.40(Predicted)
관련 반응
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