Ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-(4-methoxyphenyl)-5-methyl-3-thiophenecarboxylate
기본 정보
- CAS
444905-90-2- 표준 SMILES
CCOC(=O)c1c(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)sc(C)c1-c1ccc(OC)cc1- InChIKey
MCUFAYKXTPPYSP-UHFFFAOYSA-N- 분자식
- C26H22ClFN2O5S
- 평균 분자량
- 529 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-(4-methoxyphenyl)-5-methyl-3-thiophenecarboxylate
- IUPAC
- ethyl 2-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4-(4-methoxyphenyl)-5-methylthiophene-3-carboxylate
- 영어명
- ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-(4-methoxyphenyl)-5-methyl-3-thiophenecarboxylate
- 분자식
- C26H22ClFN2O5S
- 분자량
- 528.9796832
이름 및 동의어
ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-(4-methoxyphenyl)-5-methyl-3-thiophenecarboxylateOprea1_801528AK-968/15361566STK422986AKOS003279958ethyl 2-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4-(4-methoxyphenyl)-5-methylthiophene-3-carboxylateST50930395ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-4-(4-methoxyphenyl)-5-methylthiophene-3-carboxylateethyl 2-{[3-(6-chloro-2-fluorophenyl)-5-methylisoxazol-4-yl]carbonylamino}-4-( 4-methoxyphenyl)-5-methylthiophene-3-carboxylate
데이터베이스 식별자
- CAS
444905-90-2
물성
구조 계산 물성
- XLogP
- 6.8
- 극성 표면적
- 119 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 773
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