기본 정보
- CAS
329073-28-1- 표준 SMILES
COc1cc(C2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)CC(c2ccc(Cl)cc2)C3)ccc1OCc1ccccc1- InChIKey
VASDZXMKSPFRGD-UHFFFAOYSA-N- 분자식
- C35H36ClNO5
- 평균 분자량
- 586.1 g/mol
이름 및 식별자
- 우선 이름
- 2-Methylpropyl 4-[4-(benzyloxy)-3-methoxyphenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
- IUPAC
- 2-methylpropyl 7-(4-chlorophenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
- 영어명
- isobutyl 4-[4-(benzyloxy)-3-methoxyphenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
- 분자식
- C35H36ClNO5
- 분자량
- 586.11704
이름 및 동의어
2-methylpropyl 4-[4-(benzyloxy)-3-methoxyphenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylateisobutyl 4-[4-(benzyloxy)-3-methoxyphenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylateOprea1_327376Oprea1_449537STK363623AKOS001607429AKOS0219885272-methylpropyl 7-(4-chlorophenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylateST017112AG-690/12892937SR-01000422535SR-01000422535-1
이름 더 보기
2-methylpropyl 7-(4-chlorophenyl)-4-[3-methoxy-4-(phenylmethoxy)phenyl]-2-meth yl-5-oxo-1,4,6,7,8-pentahydroquinoline-3-carboxylate329073-28-1isobutyl 4-(4-(benzyloxy)-3-methoxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- 7.2
- 극성 표면적
- 73.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 1,020
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