2-ethyl-3-[4-methyl-3-(4-methylpiperazine-1-sulfonyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a][1,3]diazepine-5,8-dione
Chemical Structure Depiction of
2-ethyl-3-[4-methyl-3-(4-methylpiperazine-1-sulfonyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a][1,3]diazepine-5,8-dione
2-ethyl-3-[4-methyl-3-(4-methylpiperazine-1-sulfonyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a][1,3]diazepine-5,8-dione
Compound characteristics
| Compound ID: | L299-2470 |
| Compound Name: | 2-ethyl-3-[4-methyl-3-(4-methylpiperazine-1-sulfonyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a][1,3]diazepine-5,8-dione |
| Molecular Weight: | 445.54 |
| Molecular Formula: | C21 H27 N5 O4 S |
| Smiles: | CCc1c(c2ccc(C)c(c2)S(N2CCN(C)CC2)(=O)=O)c2NC(CCC(n2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8992 |
| logD: | 0.5612 |
| logSw: | -2.4114 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.29 |
| InChI Key: | QHBIKPVMDYLICH-UHFFFAOYSA-N |