2-(3,5-dimethylphenyl)-3-[2-[4-(pyridin-4-yl)butylamino]-ethyl]-1H-indole-5-carboxylic acid ethyl ester
기본 정보
- 표준 SMILES
CCOC(=O)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CCNCCCCc3ccncc3)c2c1- InChIKey
VKTHUHUHXGAOQI-UHFFFAOYSA-N- 분자식
- C30H35N3O2
- 평균 분자량
- 469.6 g/mol
이름 및 식별자
- 우선 이름
- 2-(3,5-dimethylphenyl)-3-[2-[4-(pyridin-4-yl)butylamino]-ethyl]-1H-indole-5-carboxylic acid ethyl ester
- IUPAC
- ethyl 2-(3,5-dimethylphenyl)-3-[2-(4-pyridin-4-ylbutylamino)ethyl]-1H-indole-5-carboxylate
이름 및 동의어
SCHEMBL6974460VKTHUHUHXGAOQI-UHFFFAOYSA-NDB-157366192643-79-12-(3,5-dimethylphenyl)- 3-[2-[4-(pyridin-4-yl)butylamino] ethyl]-1H-indole-5-carboxylic acid ethyl ester2-(3,5-dimethylphenyl)-3-[2-[4-(pyridin-4-yl) butylamino]-ethyl]-1H-indole-5-carboxylic acid ethyl ester2-(3,5-dimethylphenyl)-3-[2-[4-(pyridin-4-yl)butylamino]-ethyl]-1H-indole-5-carboxylic acid ethyl ester2-(3,5-dimethylphenyl)-3-[2-[4-(pyridin-4-yl)butylamino]ethyl]-1H-indole-5-carboxylic acid ethyl esterEthyl 2-(3,5-dimethylphenyl)-3-(2-((4-(pyridin-4-yl)butyl)amino)ethyl)-1H-indole-5-carboxylate
데이터베이스 식별자
- PubChem CID
- 54397097
물성
구조 계산 물성
- XLogP
- 6.1
- 극성 표면적
- 67 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 627
관련 반응
7건
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