N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-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: | L299-2509 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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: | 496.54 |
| Molecular Formula: | C24 H24 N4 O6 S |
| Smiles: | CCc1c(c2ccc(C)c(c2)S(Nc2ccc3c(c2)OCCO3)(=O)=O)c2NC(CCC(n2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6189 |
| logD: | 0.3848 |
| logSw: | -2.653 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.575 |
| InChI Key: | LUGPIROQMCGRLL-UHFFFAOYSA-N |