4-fluoro-N-((E)-{1-(4-methoxyphenyl)-4-[(4-methylphenyl)sulfanyl]-2-phenyl-6,7-dihydro-1H-indol-5-yl}methylidene)aniline
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기본 정보
- CAS
477869-29-7- 표준 SMILES
COc1ccc(-n2c(-c3ccccc3)cc3c2CCC(C=Nc2ccc(F)cc2)=C3Sc2ccc(C)cc2)cc1- InChIKey
UXLNSFGYZUMENC-UHFFFAOYSA-N- 분자식
- C35H29FN2OS
- 평균 분자량
- 544.7 g/mol
- 단동위원소 질량
- 544.19846289
이름 및 식별자
- 우선 이름
- 4-fluoro-N-((E)-{1-(4-methoxyphenyl)-4-[(4-methylphenyl)sulfanyl]-2-phenyl-6,7-dihydro-1H-indol-5-yl}methylidene)aniline
- IUPAC
- N-(4-fluorophenyl)-1-[1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfanyl-2-phenyl-6,7-dihydroindol-5-yl]methanimine
- 영어명
- 4-FLUORO-N-((E)-(1-(4-METHOXYPHENYL)-4-[(4-METHYLPHENYL)SULFANYL]-2-PHENYL-6,7-DIHYDRO-1H-INDOL-5-YL)METHYLIDENE)ANILINE
- 분자식
- C35H29FN2OS
- 분자량
- 544.68
이름 및 동의어
477869-29-7(1E)-N-(4-fluorophenyl)-1-[1-(4-methoxyphenyl)-4-[(4-methylphenyl)sulfanyl]-2-phenyl-6,7-dihydro-1H-indol-5-yl]methanimine4-fluoro-N-((E)-{1-(4-methoxyphenyl)-4-[(4-methylphenyl)sulfanyl]-2-phenyl-6,7-dihydro-1H-indol-5-yl}methylidene)anilineN-(4-fluorophenyl)-1-[1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfanyl-2-phenyl-6,7-dihydroindol-5-yl]methanimineAKOS0050833721P-593SBenzenamine, N-[[6,7-dihydro-1-(4-methoxyphenyl)-4-[(4-methylphenyl)thio]-2-phenyl-1H-indol-5-yl]methylene]-4-fluoro-4-FLUORO-N-((E)-(1-(4-METHOXYPHENYL)-4-[(4-METHYLPHENYL)SULFANYL]-2-PHENYL-6,7-DIHYDRO-1H-INDOL-5-YL)METHYLIDENE)ANILINEN-(4-FLUOROPHENYL)-N-((E)-(1-(4-METHOXYPHENYL)-4-[(4-METHYLPHENYL)SULFANYL]-2-PHENYL-6,7-DIHYDRO-1H-INDOL-5-YL)METHYLIDENE)AMINE
데이터베이스 식별자
- CAS
477869-29-7- PubChem CID
- 3731144
물성
구조 계산 물성보충 중
- XLogP
- 8.3
- 극성 표면적
- 51.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 863
물리화학적 성질
- 끓는 점
- 724.5 · 724.5±60.0 °C(Predicted)
- 밀도
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 3.67 · 3.67±0.20(Predicted)
관련 반응
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