4-(difluoromethyl)-6-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-2-(ethylsulfonyl)pyrimidine
기본 정보
- CAS
1006441-37-7- 표준 SMILES
CCn1cc(-c2cc(C(F)F)nc(S(=O)(=O)CC)n2)c(C)n1- InChIKey
QZGPYOGRCRYVGW-UHFFFAOYSA-N- 분자식
- C13H16F2N4O2S
- 평균 분자량
- 330.36 g/mol
- 단동위원소 질량
- 330.09620326
이름 및 식별자
- 우선 이름
- 4-(difluoromethyl)-6-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-2-(ethylsulfonyl)pyrimidine
- IUPAC
- 4-(difluoromethyl)-6-(1-ethyl-3-methylpyrazol-4-yl)-2-ethylsulfonylpyrimidine
- 영어명
- 4-(difluoromethyl)-6-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-2-(ethylsulfonyl)pyrimidine
- 분자식
- C13H16F2N4O2S
- 분자량
- 330.35
이름 및 동의어
1006441-37-74-(difluoromethyl)-6-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-2-(ethylsulfonyl)pyrimidine4-(difluoromethyl)-6-(1-ethyl-3-methyl-pyrazol-4-yl)-2-ethylsulfonyl-pyrimidine4-(difluoromethyl)-2-(ethanesulfonyl)-6-(1-ethyl-3-methyl-1H-pyrazol-4-yl)pyrimidineMFCD04970417DTXSID201129920SBB022410STK349774AKOS000311040CCG-352454SB85637CS-0298375
이름 더 보기
Pyrimidine, 4-(difluoromethyl)-6-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-2-(ethylsulfonyl)-
EN300-2298444-(difluoromethyl)-6-(1-ethyl-3-methylpyrazol-4-yl)-2-ethylsulfonylpyrimidine6-(difluoromethyl)-4-(1-ethyl-3-methylpyrazol-4-yl)-2-(ethylsulfonyl)pyrimidin e
데이터베이스 식별자
- CAS
1006441-37-7- PubChem CID
- 19616507
- DTXSID
DTXSID201129920
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 86.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 471
물리화학적 성질
- 끓는 점
- 505 · 505.0±60.0 °C(Predicted)
- 밀도
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -1.05 · -1.05±0.10(Predicted)
관련 반응
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