2,4-Dichlorophenyl 1-(2-[3-(2,5-dimethyl-1H-pyrrol-1-YL)-2-thienyl]pyrazolo[1,5-A]pyrimidin-7-YL)ethyl ether
기본 정보
- CAS
477858-76-7- 표준 SMILES
Cc1ccc(C)n1-c1ccsc1-c1cc2nccc(C(C)Oc3ccc(Cl)cc3Cl)n2n1- InChIKey
UOGRWJBQRDTLJI-UHFFFAOYSA-N- 분자식
- C24H20Cl2N4OS
- 평균 분자량
- 483.4 g/mol
이름 및 식별자
- 우선 이름
- 2,4-Dichlorophenyl 1-(2-[3-(2,5-dimethyl-1H-pyrrol-1-YL)-2-thienyl]pyrazolo[1,5-A]pyrimidin-7-YL)ethyl ether
- IUPAC
- 7-[1-(2,4-dichlorophenoxy)ethyl]-2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidine
- 영어명
- 2,4-Dichlorophenyl 1-(2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]pyrazolo[1,5-a]pyrimidin-7-yl)ethyl ether
- 분자식
- C24H20Cl2N4OS
- 분자량
- 483.41
이름 및 동의어
477858-76-72,4-DICHLOROPHENYL 1-(2-[3-(2,5-DIMETHYL-1H-PYRROL-1-YL)-2-THIENYL]PYRAZOLO[1,5-A]PYRIMIDIN-7-YL)ETHYL ETHER1-(2-{7-[1-(2,4-dichlorophenoxy)ethyl]pyrazolo[1,5-a]pyrimidin-2-yl}thiophen-3-yl)-2,5-dimethyl-1H-pyrrole7-[1-(2,4-dichlorophenoxy)ethyl]-2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidineAKOS0050790457-[1-(2,4-dichlorophenoxy)ethyl]-2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]pyrazolo[1,5-a]pyrimidine11R-00227-(1-(2,4-Dichlorophenoxy)ethyl)-2-(3-(2,5-dimethyl-1H-pyrrol-1-yl)thiophen-2-yl)pyrazolo[1,5-a]pyrimidinePyrazolo[1,5-a]pyrimidine, 7-[1-(2,4-dichlorophenoxy)ethyl]-2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-
데이터베이스 식별자
- CAS
477858-76-7
물성
구조 계산 물성
- XLogP
- 6.1
- 극성 표면적
- 72.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 637
물리화학적 성질
- 밀도
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -0.72 · -0.72±0.40(Predicted)
관련 반응
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