기본 정보
- CAS
352684-65-2- 표준 SMILES
CCOC(=O)c1c(NC(=O)c2c(-c3ccccc3Cl)noc2C)sc2c1CCC(C(C)(C)C)C2- InChIKey
YMLREHZPAKSJOC-UHFFFAOYSA-N- 분자식
- C26H29ClN2O4S
- 평균 분자량
- 501 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 6-tert-butyl-2-({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- IUPAC
- ethyl 6-tert-butyl-2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- 영어명
- ethyl 6-tert-butyl-2-({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- 분자식
- C26H29ClN2O4S
- 분자량
- 501.03746
이름 및 동의어
ethyl 6-tert-butyl-2-({[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateethyl 6-tert-butyl-2-({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateOprea1_484207STK419332AKOS003266750AKOS022167376ethyl 6-tert-butyl-2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateAK-968/12117047ETHYL 6-(TERT-BUTYL)-2-({[3-(2-CHLOROPHENYL)-5-METHYL-4-ISOXAZOLYL]CARBONYL}AMINO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
데이터베이스 식별자
- CAS
352684-65-2
물성
구조 계산 물성
- XLogP
- 7.5
- 극성 표면적
- 110 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 747
화학 및 산업
공급사1 곳
SPECS[email protected]
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