기본 정보
- CAS
712347-03-0- 표준 SMILES
Cc1c(NC(=O)C2CC(c3c(F)cccc3Cl)=NO2)c(=O)n(-c2ccccc2)n1C- InChIKey
NYBYQTBEWOAVIC-UHFFFAOYSA-N- 분자식
- C21H18ClFN4O3
- 평균 분자량
- 428.8 g/mol
- 단동위원소 질량
- 428.1051463
이름 및 식별자
- 우선 이름
- 3-(2-chloro-6-fluorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4,5-dihydro-5-isoxazolecarboxamide
- IUPAC
- 3-(2-chloro-6-fluorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
- 영어명
- 3-(2-chloro-6-fluorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4,5-dihydro-5-isoxazolecarboxamide
- 분자식
- C21H18ClFN4O3
- 분자량
- 428.8440232
이름 및 동의어
3-(2-chloro-6-fluorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4,5-dihydro-5-isoxazolecarboxamide712347-03-0SMR000078263MLS000050745MLS002547105CHEMBL1445740HMS2483L22AKOS001715645AKOS022010739CCG-1219523-(2-chloro-6-fluorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamideST50636586
이름 더 보기
AN-329/43210759SR-01000283179SR-01000283179-13-(2-chloro-6-fluorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamideN-(2,3-dimethyl-5-oxo-1-phenyl(3-pyrazolin-4-yl))[3-(2-chloro-6-fluorophenyl)( 4,5-dihydroisoxazol-5-yl)]carboxamide
데이터베이스 식별자
- CAS
712347-03-0- PubChem CID
- 2962179
- ChEMBL
CHEMBL1445740
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 74.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 767
화학 및 산업
공급사1 곳
SPECS[email protected]
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