기본 정보
- CAS
445029-77-6- 표준 SMILES
CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)c1c(-c2c(F)cccc2Cl)noc1C- InChIKey
PGVDEOBFDAWYLI-UHFFFAOYSA-N- 분자식
- C26H22ClFN2O6S
- 평균 분자량
- 545 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-(3,4-dimethoxyphenyl)-3-thiophenecarboxylate
- IUPAC
- ethyl 2-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
- 영어명
- ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-(3,4-dimethoxyphenyl)-3-thiophenecarboxylate
- 분자식
- C26H22ClFN2O6S
- 분자량
- 544.9790832
이름 및 동의어
ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-(3,4-dimethoxyphenyl)-3-thiophenecarboxylateAK-968/41018420STK422997AKOS003284689ethyl 2-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylateST50933633ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylateethyl 4-(3,4-dimethoxyphenyl)-2-{[3-(2-chloro-6-fluorophenyl)-5-methylisoxazol -4-yl]carbonylamino}thiophene-3-carboxylate
데이터베이스 식별자
- CAS
445029-77-6
물성
구조 계산 물성
- XLogP
- 6.3
- 극성 표면적
- 128 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 798
화학 및 산업
공급사1 곳
SPECS[email protected]
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