기본 정보
- 표준 SMILES
Cn1c(CNc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc2ccccc21- InChIKey
MJGWHEJLSWUCNL-UHFFFAOYSA-N- 분자식
- C33H26F3N3
- 평균 분자량
- 521.6 g/mol
이름 및 식별자
- 우선 이름
- 1H-Indole-2-methanamine, 1-methyl-N-[3-[3-(phenylmethyl)-8-(trifluoromethyl)-4-quinolinyl]phenyl]-
- IUPAC
- 3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]-N-[(1-methylindol-2-yl)methyl]aniline
이름 및 동의어
CHEMBL5519811H-Indole-2-methanamine, 1-methyl-N-[3-[3-(phenylmethyl)-8-(trifluoromethyl)-4-quinolinyl]phenyl]-854771-28-1SCHEMBL1125050BDBM50294738{3-[3-Benzyl-8-(trifluoromethyl)quinolin-4-yl]phenyl}-[(1-methyl-1H-indol-2-yl)methyl]amine{3-[3-Benzyl-8-(Trifluoromethyl)Quinolin-4-yl]Phenyl}[(1-Methyl-1 H-Indol-2-yl)Methyl]Amine{3-[3-BENZYL-8-(TRIFLUOROMETHYL)QUINOLIN-4-YL]PHENYL}[(1-METHYL-1H-INDOL-2-YL)METHYL]AMINE
데이터베이스 식별자
- PubChem CID
- 45272392
- ChEMBL
CHEMBL551981
물성
구조 계산 물성
- XLogP
- 8.2
- 극성 표면적
- 29.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 783
관련 반응
2건
화합물 노트
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