(R)-N-(4-((7-(2-hydroxypropoxy)quinolin-4-yl)oxy)phenyl)-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide
기본 정보
- 표준 SMILES
Cc1c(C(=O)Nc2ccc(Oc3ccnc4cc(OC[C@@H](C)O)ccc34)cc2)c(=O)n(-c2ccccc2)n1C- InChIKey
XERFIRFMKJGFDC-LJQANCHMSA-N- 분자식
- C30H28N4O5
- 평균 분자량
- 524.6 g/mol
이름 및 식별자
- 우선 이름
- (R)-N-(4-((7-(2-hydroxypropoxy)quinolin-4-yl)oxy)phenyl)-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide
- IUPAC
- N-[4-[7-[(2R)-2-hydroxypropoxy]quinolin-4-yl]oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
이름 및 동의어
CHEMBL4115455SCHEMBL12003952US9133162, Example 11XERFIRFMKJGFDC-LJQANCHMSA-NBDBM180280(R)-N-(4-((7-(2-hydroxypropoxy)quinolin-4-yl)oxy)phenyl)-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide(R)-N-(4-((7-(2-hydroxypropoxyl)quinolin-4-yl)oxy)phenyl)-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide
데이터베이스 식별자
- PubChem CID
- 60172730
- ChEMBL
CHEMBL4115455
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 104 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 898
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