기본 정보
- CAS
332928-85-5- 표준 SMILES
CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CC(c3ccc(OC)c(OC)c3)C2)C1c1ccc(C)cc1- InChIKey
OXIXMDMLCJOISA-UHFFFAOYSA-N- 분자식
- C30H35NO5S
- 평균 분자량
- 521.7 g/mol
- 단동위원소 질량
- 521.22359439
이름 및 식별자
- 우선 이름
- 2-(Ethylthio)ethyl 7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4-(p-tolyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
- IUPAC
- 2-ethylsulfanylethyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
- 영어명
- 2-(ethylsulfanyl)ethyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
- 분자식
- C30H35NO5S
- 분자량
- 521.6676
이름 및 동의어
332928-85-52-(Ethylthio)ethyl 7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4-(p-tolyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate2-ethylsulfanylethyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylateAKOS000537417ST50010912AG-690/407505632-(ethylsulfanyl)ethyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate2-(Ethylthio)ethyl7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4-(p-tolyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate2-ethylthioethyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(4-methylphenyl)-5-oxo-1,4 ,6,7,8-pentahydroquinoline-3-carboxylate7-(3,4-Dimethoxy-phenyl)-2-methyl-5-oxo-4-p-tolyl-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid 2-ethylsulfanyl-ethyl ester
데이터베이스 식별자
- CAS
332928-85-5- PubChem CID
- 3135396
물성
구조 계산 물성
- XLogP
- 5.2
- 극성 표면적
- 99.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 890
화학 및 산업
공급사1 곳
SPECS[email protected]
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