기본 정보
- CAS
330208-80-5- 표준 SMILES
CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(O)c(OC)c1- InChIKey
AUSFDACMLSVDNA-UHFFFAOYSA-N- 분자식
- C24H31NO5S
- 평균 분자량
- 445.6 g/mol
- 단동위원소 질량
- 445.19229426
이름 및 식별자
- 우선 이름
- 2-(Ethylsulfanyl)ethyl 4-(4-hydroxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
- IUPAC
- 2-ethylsulfanylethyl 4-(4-hydroxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
- 영어명
- 2-(ethylsulfanyl)ethyl 4-(4-hydroxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
- 분자식
- C24H31NO5S
- 분자량
- 445.57164
이름 및 동의어
2-(ethylsulfanyl)ethyl 4-(4-hydroxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate2-(ethylsulfanyl)ethyl 4-(4-hydroxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylateSR-01000218088STK402486AKOS000658934AKOS0221497122-ethylsulfanylethyl 4-(4-hydroxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylateAB00094788-01AG-205/12537029SR-01000218088-1SR-01000218088-22-(ethylthio)ethyl 4-(4-hydroxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
이름 더 보기
330208-80-5
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 110 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 772
화학 및 산업
공급사1 곳
SPECS[email protected]
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