N-(3,4-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-(3,4-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-(3,4-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: | L299-3704 |
| Compound Name: | N-(3,4-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(c(c2)F)F)(=O)=O)OC)c2NC(CCC(n2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4623 |
| logD: | -0.417 |
| logSw: | -3.1191 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.382 |
| InChI Key: | JKBBWPSOUOCYKG-UHFFFAOYSA-N |