기본 정보
- 표준 SMILES
CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCn2cc(C(F)(F)F)nc2C1)Cc1ccc(F)c(F)c1- InChIKey
CQLSYCWULOEZCJ-CQSZACIVSA-N- 분자식
- C22H25F5N4O3
- 평균 분자량
- 488.5 g/mol
이름 및 식별자
- 우선 이름
- 7-[(3R)-3-[(1,1-dimethylethoxycarbonyl)amino]-4-(3,4-difluorophenyl)butanoyl]-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
- IUPAC
- tert-butyl N-[(2R)-1-(3,4-difluorophenyl)-4-oxo-4-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-2-yl]carbamate
이름 및 동의어
7-[(3R)-3-[(1,1-dimethylethoxycarbonyl)amino]-4-(3,4-difluorophenyl)butanoyl]-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazineSCHEMBL15092297-[(3R)-3 -[(1,1-dimethylethoxycarbonyl)amino]-4-(3,4-difluorophenyl)butanoyl]-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-alpha]pyrazine7-[(3R)-3-[(1,1-dimethylethoxycarbonyl)amino]-4-(3,4-difluorophenyl)butanoyl]-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-alpha]pyrazine7-[(3R)-3-[(1,1-dimethylethoxycarbonyl)amino]-4-(3,4-difluorophenyl)butanoyl]-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazol[1,2-a]pyrazine
데이터베이스 식별자
- PubChem CID
- 67058481
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 76.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 732
관련 반응
6건
화합물 노트
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