3-[3-(azepane-1-sulfonyl)-4-methoxyphenyl]-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-methoxyphenyl]-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a][1,3]diazepine-5,8-dione
3-[3-(azepane-1-sulfonyl)-4-methoxyphenyl]-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a][1,3]diazepine-5,8-dione
Compound characteristics
| Compound ID: | L299-1633 |
| Compound Name: | 3-[3-(azepane-1-sulfonyl)-4-methoxyphenyl]-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a][1,3]diazepine-5,8-dione |
| Molecular Weight: | 446.52 |
| Molecular Formula: | C21 H26 N4 O5 S |
| Smiles: | Cc1c(c2ccc(c(c2)S(N2CCCCCC2)(=O)=O)OC)c2NC(CCC(n2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2349 |
| logD: | 0.9497 |
| logSw: | -2.418 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.086 |
| InChI Key: | BQUKBHGMOSCLRK-UHFFFAOYSA-N |