기본 정보
- CAS
444934-14-9- 표준 SMILES
COc1ccc(C2C(C#N)=C(N)N(c3ccc([N+](=O)[O-])cc3Cl)C3=C2C(=O)CC(C)(C)C3)cc1COc1c(C)cccc1C- InChIKey
DSMKLUBXEJADJU-UHFFFAOYSA-N- 분자식
- C34H33ClN4O5
- 평균 분자량
- 613.1 g/mol
이름 및 식별자
- 우선 이름
- 2-Amino-1-{2-chloro-4-nitrophenyl}-4-{3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
- IUPAC
- 2-amino-1-(2-chloro-4-nitrophenyl)-4-[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
- 영어명
- 2-amino-1-{2-chloro-4-nitrophenyl}-4-{3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
- 분자식
- C34H33ClN4O5
- 분자량
- 613.1
이름 및 동의어
2-amino-1-{2-chloro-4-nitrophenyl}-4-{3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile444934-14-92-amino-1-(2-chloro-4-nitrophenyl)-4-{3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrileAK-968/15606096STL174530AKOS0037937142-amino-1-(2-chloro-4-nitrophenyl)-4-[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile2-AMINO-1-(2-CHLORO-4-NITROPHENYL)-4-{3-[(2,6-DIMETHYLPHENOXY)METHYL]-4-METHOXYPHENYL}-7,7-DIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE3-Quinolinecarbonitrile, 2-amino-1-(2-chloro-4-nitrophenyl)-4-[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]-1,4,5,6,7,8-hexahydro-7,7-dimethyl-5-oxo-
데이터베이스 식별자
- CAS
444934-14-9
물성
구조 계산 물성
- XLogP
- 7.2
- 극성 표면적
- 134 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 44
- 형식 전하
- 0
- 복잡도
- 1,220
물리화학적 성질
- 끓는 점
- 789.4 · 789.4±60.0 °C(Predicted)
- 밀도
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 2.95 · 2.95±0.60(Predicted)
화학 및 산업
공급사1 곳
SPECS[email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…