기본 정보
- CAS
354543-88-7- 표준 SMILES
CCOC(=O)c1c(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)sc2c1CCC2- InChIKey
HOUZESBWTUEORX-UHFFFAOYSA-N- 분자식
- C21H18Cl2N2O4S
- 평균 분자량
- 465.3 g/mol
이름 및 식별자
- 우선 이름
- ethyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
- IUPAC
- ethyl 2-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
- 영어명
- ethyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
- 분자식
- C21H18Cl2N2O4S
- 분자량
- 465.35
이름 및 동의어
ethyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylateOprea1_800042AK-968/37156011STL172453AKOS003856417ethyl 2-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate354543-88-7ethyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylateethyl 2-(3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate4H-Cyclopenta[b]thiophene-3-carboxylic acid, 2-[[[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-5,6-dihydro-, ethyl ester
데이터베이스 식별자
- CAS
354543-88-7
물성
구조 계산 물성
- XLogP
- 6
- 극성 표면적
- 110 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 646
물리화학적 성질
- 끓는 점
- 567.9 · 567.9±50.0 °C(Predicted)
- 밀도
- 1.441 · 1.441±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.78 · 11.78±0.20(Predicted)
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