기본 정보
- CAS
543712-84-1- 표준 SMILES
CCOC(=O)c1c(NC(=O)c2c(-c3ccccc3Cl)noc2C)sc(C)c1CC- InChIKey
PQQNHGQQRAXXLM-UHFFFAOYSA-N- 분자식
- C21H21ClN2O4S
- 평균 분자량
- 432.9 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
- IUPAC
- ethyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
- 영어명
- ethyl 2-({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-ethyl-5-methyl-3-thiophenecarboxylate
- 분자식
- C21H21ClN2O4S
- 분자량
- 432.92044
이름 및 동의어
ethyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4-ethyl-5-methylthiophene-3-carboxylateethyl 2-({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-ethyl-5-methyl-3-thiophenecarboxylateOprea1_025659AK-968/13033219STK437850AKOS003283077ST50924530543712-84-1ethyl 2-({[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-4-ethyl-5-methylthiophene-3-carboxylateethyl 2-{[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}-4-ethyl-5-me thylthiophene-3-carboxylate
데이터베이스 식별자
- CAS
543712-84-1
물성
구조 계산 물성
- XLogP
- 5.9
- 극성 표면적
- 110 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 595
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