기본 정보
- CAS
477869-26-4- 표준 SMILES
COc1ccc(-n2c(-c3ccccc3)cc3c2CCC(C=Nc2ccc(Br)cc2)=C3Sc2ccc(C)cc2)cc1- InChIKey
JREMZVKHCUNQDF-UHFFFAOYSA-N- 분자식
- C35H29BrN2OS
- 평균 분자량
- 605.6 g/mol
- 단동위원소 질량
- 604.1184
이름 및 식별자
- 우선 이름
- 4-bromo-N-((E)-{1-(4-methoxyphenyl)-4-[(4-methylphenyl)sulfanyl]-2-phenyl-6,7-dihydro-1H-indol-5-yl}methylidene)aniline
- IUPAC
- N-(4-bromophenyl)-1-[1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfanyl-2-phenyl-6,7-dihydroindol-5-yl]methanimine
- 영어명
- 4-BROMO-N-((E)-(1-(4-METHOXYPHENYL)-4-[(4-METHYLPHENYL)SULFANYL]-2-PHENYL-6,7-DIHYDRO-1H-INDOL-5-YL)METHYLIDENE)ANILINE
- 분자식
- C35H29BrN2OS
- 분자량
- 605.59
이름 및 동의어
477869-26-4(1E)-N-(4-bromophenyl)-1-[1-(4-methoxyphenyl)-4-[(4-methylphenyl)sulfanyl]-2-phenyl-6,7-dihydro-1H-indol-5-yl]methanimine4-bromo-N-((E)-{1-(4-methoxyphenyl)-4-[(4-methylphenyl)sulfanyl]-2-phenyl-6,7-dihydro-1H-indol-5-yl}methylidene)anilineN-(4-bromophenyl)-1-[1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfanyl-2-phenyl-6,7-dihydroindol-5-yl]methanimineAKOS0050833461P-582SBenzenamine, 4-bromo-N-[[6,7-dihydro-1-(4-methoxyphenyl)-4-[(4-methylphenyl)thio]-2-phenyl-1H-indol-5-yl]methylene]-4-BROMO-N-((E)-(1-(4-METHOXYPHENYL)-4-[(4-METHYLPHENYL)SULFANYL]-2-PHENYL-6,7-DIHYDRO-1H-INDOL-5-YL)METHYLIDENE)ANILINEN-(4-BROMOPHENYL)-N-((E)-(1-(4-METHOXYPHENYL)-4-[(4-METHYLPHENYL)SULFANYL]-2-PHENYL-6,7-DIHYDRO-1H-INDOL-5-YL)METHYLIDENE)AMINE
데이터베이스 식별자
- CAS
477869-26-4- PubChem CID
- 3749685
물성
구조 계산 물성
- XLogP
- 8.9
- 극성 표면적
- 51.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 863
물리화학적 성질
- 끓는 점
- 752.8 · 752.8±60.0 °C(Predicted)
- 밀도
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 3.22 · 3.22±0.20(Predicted)
화학 및 산업
공급사2 곳
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
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