기본 정보
- CAS
446848-13-1- 표준 SMILES
CCOC(=O)c1c(NC(=O)c2c(-c3ccccc3Cl)noc2C)sc2c1CCC2- InChIKey
WZQWSCBGKXQQQH-UHFFFAOYSA-N- 분자식
- C21H19ClN2O4S
- 평균 분자량
- 430.9 g/mol
- 단동위원소 질량
- 430.075406
이름 및 식별자
- 우선 이름
- ethyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
- IUPAC
- ethyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
- 영어명
- ethyl 2-({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
- 분자식
- C21H19ClN2O4S
- 분자량
- 430.90456
이름 및 동의어
ethyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylateethyl 2-({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylateethyl 2-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylateOprea1_244633Oprea1_411943STK398527AKOS002956261ST50926170AF-399/37112035446848-13-1ethyl 2-({[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylateETHYL 2-[3-(2-CHLOROPHENYL)-5-METHYL-1,2-OXAZOLE-4-AMIDO]-4H,5H,6H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLATE
이름 더 보기
ethyl 2-{[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}-4,5,6-trihyd rocyclopenta[2,1-b]thiophene-3-carboxylate
물성
구조 계산 물성
- XLogP
- 5.4
- 극성 표면적
- 110 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 623
화학 및 산업
공급사1 곳
SPECS[email protected]
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