2-(Ethylsulfanyl)ethyl 7-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
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기본 정보
- CAS
329073-70-3- 표준 SMILES
CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CC(c3ccc(Cl)cc3)C2)C1c1ccc(N(C)C)cc1- InChIKey
AQRKGYDGYZKOAM-UHFFFAOYSA-N- 분자식
- C29H33ClN2O3S
- 평균 분자량
- 525.1 g/mol
- 단동위원소 질량
- 524.1900418
이름 및 식별자
- 우선 이름
- 2-(Ethylsulfanyl)ethyl 7-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
- IUPAC
- 2-ethylsulfanylethyl 7-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
- 영어명
- 2-(ethylsulfanyl)ethyl 7-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
- 분자식
- C29H33ClN2O3S
- 분자량
- 525.1
이름 및 동의어
2-(ethylsulfanyl)ethyl 7-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylateAK-968/12540659MFCD01528044STK036627AKOS001612209AKOS021988863ST017197ZINC000002757941ZINC000002926689EU-0004107SR-01000425104SR-01000425104-1
이름 더 보기
3-Quinolinecarboxylic acid, 7-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-, 2-(ethylthio)ethyl ester
CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)N(C)C)C(=O)CC(C2)c1ccc(cc1)ClCCSCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)N(C)C)C(=O)CC(C2)C4=CC=C(C=C4)Cl)C2(ethylsulfanyl)ethyl7(4chlorophenyl)4(4(dimethylamino)phenyl)2methyl5oxo145678hexahydroquinoline3carboxylate2-(ethylthio)ethyl 7-(4-chlorophenyl)-4-(4-(dimethylamino)phenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate2-ethylsulfanylethyl 7-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate2-ethylthioethyl 4-[4-(dimethylamino)phenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo -1,4,6,7,8-pentahydroquinoline-3-carboxylate2ethylsulfanylethyl7(4chlorophenyl)4(4(dimethylamino)phenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate329073-70-3
물성
구조 계산 물성보충 중
- XLogP
- 5.6
- 극성 표면적
- 83.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 870
관련 반응
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