N-(2-chloro-4-fluorophenyl)-5-(2-ethyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-2-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-(2-chloro-4-fluorophenyl)-5-(2-ethyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-2-methylbenzene-1-sulfonamide
N-(2-chloro-4-fluorophenyl)-5-(2-ethyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-2-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | L299-2540 |
| Compound Name: | N-(2-chloro-4-fluorophenyl)-5-(2-ethyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-2-methylbenzene-1-sulfonamide |
| Molecular Weight: | 490.94 |
| Molecular Formula: | C22 H20 Cl F N4 O4 S |
| Smiles: | CCc1c(c2ccc(C)c(c2)S(Nc2ccc(cc2[Cl])F)(=O)=O)c2NC(CCC(n2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2826 |
| logD: | -0.3047 |
| logSw: | -4.0744 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.054 |
| InChI Key: | BWHFMAFEXDMQLB-UHFFFAOYSA-N |