기본 정보
- 표준 SMILES
CS(=O)(=O)CCN1C[C@H](c2cccc(F)c2F)CC[C@@H](NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)C1=O- InChIKey
PEYRLOIWDKHZQX-DYESRHJHSA-N- 분자식
- C27H32F2N6O5S
- 평균 분자량
- 590.6 g/mol
이름 및 식별자
- 우선 이름
- N-{(3R,6S)-6-(2,3-difluorophenyl)-1-[2-(methylsulfonyl)ethyl]-2-oxoazepan-3-yl}-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
- IUPAC
- N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methylsulfonylethyl)-2-oxoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
이름 및 동의어
CHEMBL392636N-{(3R,6S)-6-(2,3-difluorophenyl)-1-[2-(methylsulfonyl)ethyl]-2-oxoazepan-3-yl}-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamideSCHEMBL1198235PEYRLOIWDKHZQX-DYESRHJHSA-NBDBM50224430N-{(3R,6S)-6-(2,3-Difluorophenyl)-1-[2-(methyl sulfonyl)ethyl]-2-oxoazepan-3-yl}-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamideN-{(3R,6S)-6-(2,3-Difluorophenyl)-1-[2-(methylsulfonyl)ethyl]-2-oxoazepan-3-yl}-4-(2-oxo-2.3-dihydro-1H-imidazo[4.5-b]pyridin-1-yl)piperidine-1-carboxamide
데이터베이스 식별자
- PubChem CID
- 11192602
- ChEMBL
CHEMBL392636
물성
구조 계산 물성
- XLogP
- 1.3
- 극성 표면적
- 140 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 1,080
관련 반응
6건
화합물 노트
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