N-((1S)-2-[4-(8-Bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]ethyl)-3-chloro-4-[(1-methylethyl)oxy]benzamide
기본 정보
- 표준 SMILES
CC(C)Oc1ccc(C(=O)N[C@@H](Cc2ccc(-c3cn4cccc(Br)c4n3)cc2)CN2C(=O)c3ccccc3C2=O)cc1Cl- InChIKey
LYGYRDOCJXJOJP-DEOSSOPVSA-N- 분자식
- C34H28BrClN4O4
- 평균 분자량
- 672 g/mol
- 단동위원소 질량
- 670.09825
이름 및 식별자
- 우선 이름
- N-((1S)-2-[4-(8-Bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]ethyl)-3-chloro-4-[(1-methylethyl)oxy]benzamide
- IUPAC
- N-[(2S)-1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide
이름 및 동의어
N-((1S)-2-[4-(8-Bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]ethyl)-3-chloro-4-[(1-methylethyl)oxy]benzamideN-{(1S)-2-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]ethyl)-3-chloro-4-[(1-methylethyl)oxy]benzamideN-{(1S)-2-[4-(8-Bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]ethyl}-3-chloro-4-[(1-methylethyl)oxy]benzamideSCHEMBL2105538LYGYRDOCJXJOJP-DEOSSOPVSA-NN-{(s)-2-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]ethyl}-3-chloro-4-[(1-methylethyl)oxy]benzamide
데이터베이스 식별자
- PubChem CID
- 57594674
물성
구조 계산 물성
- XLogP
- 7.5
- 극성 표면적
- 93 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 44
- 형식 전하
- 0
- 복잡도
- 1,020
관련 반응
13건
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