5-(2-ethyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-N-(4-fluoro-2-methylphenyl)-2-methoxybenzene-1-sulfonamide
Chemical Structure Depiction of
5-(2-ethyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-N-(4-fluoro-2-methylphenyl)-2-methoxybenzene-1-sulfonamide
5-(2-ethyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-N-(4-fluoro-2-methylphenyl)-2-methoxybenzene-1-sulfonamide
Compound characteristics
| Compound ID: | L299-3718 |
| Compound Name: | 5-(2-ethyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-N-(4-fluoro-2-methylphenyl)-2-methoxybenzene-1-sulfonamide |
| Molecular Weight: | 486.52 |
| Molecular Formula: | C23 H23 F N4 O5 S |
| Smiles: | CCc1c(c2ccc(c(c2)S(Nc2ccc(cc2C)F)(=O)=O)OC)c2NC(CCC(n2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3698 |
| logD: | 1.107 |
| logSw: | -3.0501 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.684 |
| InChI Key: | KXUPOEACKFUQJB-UHFFFAOYSA-N |