기본 정보
- CAS
347329-22-0- 표준 SMILES
CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1cccc(C)c1- InChIKey
NPGVTPUVHZTSQK-UHFFFAOYSA-N- 분자식
- C24H31NO3S
- 평균 분자량
- 413.6 g/mol
이름 및 식별자
- 우선 이름
- 2-(Ethylsulfanyl)ethyl 2,7,7-trimethyl-4-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
- IUPAC
- 2-ethylsulfanylethyl 2,7,7-trimethyl-4-(3-methylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
- 영어명
- 2-(ethylsulfanyl)ethyl 2,7,7-trimethyl-4-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
- 분자식
- C24H31NO3S
- 분자량
- 413.57
이름 및 동의어
2-(ethylsulfanyl)ethyl 2,7,7-trimethyl-4-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylateSCHEMBL3325545STK075999AKOS000663040AKOS021632650CCG-2005562-ethylsulfanylethyl 2,7,7-trimethyl-4-(3-methylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylateST052457EU-0098496AG-205/40775778SR-01000585263SR-01000585263-1
이름 더 보기
3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-4-(3-methylphenyl)-5-oxo-, 2-(ethylthio)ethyl ester
2-(ethylsulfanyl)ethyl 2,7,7-trimethyl-4-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate2-(ethylthio)ethyl 2,7,7-trimethyl-5-oxo-4-(m-tolyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate2-ethylthioethyl 2,7,7-trimethyl-4-(3-methylphenyl)-5-oxo-1,4,6,7,8-pentahydro quinoline-3-carboxylate347329-22-0
데이터베이스 식별자
- CAS
347329-22-0
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 80.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 722
화학 및 산업
공급사2 곳
SPECS[email protected]
VITAS-BB—
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