Ethyl 4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
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기본 정보
- CAS
438224-60-3- 표준 SMILES
CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1cc(CSc2ccc(Cl)cc2)c(C)cc1C- InChIKey
QEXYECYBHWJWMS-UHFFFAOYSA-N- 분자식
- C30H34ClNO3S
- 평균 분자량
- 524.1 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
- IUPAC
- ethyl 4-[5-[(4-chlorophenyl)sulfanylmethyl]-2,4-dimethylphenyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
- 영어명
- ethyl 4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
- 분자식
- C30H34ClNO3S
- 분자량
- 524.11386
이름 및 동의어
ethyl 4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylateOprea1_598920Oprea1_700953AK-968/41170983STL175725AKOS003308707ethyl 4-[5-[(4-chlorophenyl)sulfanylmethyl]-2,4-dimethylphenyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylateethyl 4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
데이터베이스 식별자
- CAS
438224-60-3
물성
구조 계산 물성보충 중
- XLogP
- 7
- 극성 표면적
- 80.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 917
관련 반응
0건
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