ethyl 4-((5-chloro-1-methyl-6-oxo-1,6-dihydropyridin-3-ylamino)(4-chloro-2-fluorophenyl)methyl)-1-(2,4-dimethoxypyrimidin-5-yl)-5-isopropyl-1H-pyrazole-3-carboxylate
기본 정보
- 표준 SMILES
CCOC(=O)c1nn(-c2cnc(OC)nc2OC)c(C(C)C)c1C(Nc1cc(Cl)c(=O)n(C)c1)c1ccc(Cl)cc1F- InChIKey
WHQPIPPNCZELHC-UHFFFAOYSA-N- 분자식
- C28H29Cl2FN6O5
- 평균 분자량
- 619.5 g/mol
- 단동위원소 질량
- 618.1560516
이름 및 식별자
- 우선 이름
- ethyl 4-((5-chloro-1-methyl-6-oxo-1,6-dihydropyridin-3-ylamino)(4-chloro-2-fluorophenyl)methyl)-1-(2,4-dimethoxypyrimidin-5-yl)-5-isopropyl-1H-pyrazole-3-carboxylate
- IUPAC
- ethyl 4-[(4-chloro-2-fluorophenyl)-[(5-chloro-1-methyl-6-oxo-3-pyridinyl)amino]methyl]-1-(2,4-dimethoxypyrimidin-5-yl)-5-propan-2-ylpyrazole-3-carboxylate
이름 및 동의어
SCHEMBL14995359WHQPIPPNCZELHC-UHFFFAOYSA-Nethyl 4-((5-chloro-1-methyl-6-oxo-1,6-dihydropyridin-3-ylamino)(4-chloro-2-fluorophenyl)methyl)-1-(2,4-dimethoxypyrimidin-5-yl)-5-isopropyl-1H-pyrazole-3-carboxylate
데이터베이스 식별자
- PubChem CID
- 89602440
물성
구조 계산 물성
- XLogP
- 5.4
- 극성 표면적
- 121 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 1,040
관련 반응
2건
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