N-(3-fluoro-4-((7-(2-hydroxy-2-methylpropoxy)-6-methoxyquinolin-4-yl)oxy)phenyl)-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide
기본 정보
- 표준 SMILES
COc1cc2c(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2cc1OCC(C)(C)O- InChIKey
HNDZJFGTHKMGAS-UHFFFAOYSA-N- 분자식
- C32H31FN4O6
- 평균 분자량
- 586.6 g/mol
- 단동위원소 질량
- 586.22276288
이름 및 식별자
- 우선 이름
- N-(3-fluoro-4-((7-(2-hydroxy-2-methylpropoxy)-6-methoxyquinolin-4-yl)oxy)phenyl)-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide
- IUPAC
- N-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)-6-methoxyquinolin-4-yl]oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
이름 및 동의어
CHEMBL3919169SCHEMBL12004355US9133162, Example 4HNDZJFGTHKMGAS-UHFFFAOYSA-NBDBM180273N-(3-fluoro-4-((7-(2-hydroxy-2-methylpropoxy)-6-methoxyquinolin-4-yl)oxy)phenyl)-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide
데이터베이스 식별자
- PubChem CID
- 60172483
- ChEMBL
CHEMBL3919169
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 113 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 1,040
관련 반응
1건
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