3-[3-(azepane-1-sulfonyl)-4-methylphenyl]-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a][1,3]diazepine-5,8-dione
Chemical Structure Depiction of
3-[3-(azepane-1-sulfonyl)-4-methylphenyl]-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a][1,3]diazepine-5,8-dione
3-[3-(azepane-1-sulfonyl)-4-methylphenyl]-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a][1,3]diazepine-5,8-dione
Compound characteristics
| Compound ID: | L299-0454 |
| Compound Name: | 3-[3-(azepane-1-sulfonyl)-4-methylphenyl]-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a][1,3]diazepine-5,8-dione |
| Molecular Weight: | 430.52 |
| Molecular Formula: | C21 H26 N4 O4 S |
| Smiles: | Cc1ccc(cc1S(N1CCCCCC1)(=O)=O)c1c(C)nn2C(CCC(Nc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7755 |
| logD: | 1.4904 |
| logSw: | -2.6323 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.455 |
| InChI Key: | IIBCQMQJHIOCBC-UHFFFAOYSA-N |