N-(2,4-difluorophenyl)-5-(2-ethyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-2-methoxybenzene-1-sulfonamide
Chemical Structure Depiction of
N-(2,4-difluorophenyl)-5-(2-ethyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-2-methoxybenzene-1-sulfonamide
N-(2,4-difluorophenyl)-5-(2-ethyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-2-methoxybenzene-1-sulfonamide
Compound characteristics
| Compound ID: | L299-3581 |
| Compound Name: | N-(2,4-difluorophenyl)-5-(2-ethyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-2-methoxybenzene-1-sulfonamide |
| Molecular Weight: | 490.48 |
| Molecular Formula: | C22 H20 F2 N4 O5 S |
| Smiles: | CCc1c(c2ccc(c(c2)S(Nc2ccc(cc2F)F)(=O)=O)OC)c2NC(CCC(n2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2123 |
| logD: | -0.673 |
| logSw: | -3.0943 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.684 |
| InChI Key: | HYGFVKXCDPMVDH-UHFFFAOYSA-N |