3-[3-(azepane-1-sulfonyl)-4-methylphenyl]-2-ethyl-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-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a][1,3]diazepine-5,8-dione
3-[3-(azepane-1-sulfonyl)-4-methylphenyl]-2-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a][1,3]diazepine-5,8-dione
Compound characteristics
| Compound ID: | L299-2419 |
| Compound Name: | 3-[3-(azepane-1-sulfonyl)-4-methylphenyl]-2-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a][1,3]diazepine-5,8-dione |
| Molecular Weight: | 444.55 |
| Molecular Formula: | C22 H28 N4 O4 S |
| Smiles: | CCc1c(c2ccc(C)c(c2)S(N2CCCCCC2)(=O)=O)c2NC(CCC(n2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4908 |
| logD: | 2.2155 |
| logSw: | -2.9487 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.144 |
| InChI Key: | HECLUQVRRJNFPD-UHFFFAOYSA-N |