4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
Chemical Structure Depiction of
4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
Compound characteristics
| Compound ID: | L310-2902 |
| Compound Name: | 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide |
| Molecular Weight: | 498.51 |
| Molecular Formula: | C23 H22 N4 O7 S |
| Smiles: | Cc1cc2c(cc1S(Nc1ccc3c(c1)OCCO3)(=O)=O)OCC(N2Cc1nc(C2CC2)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2755 |
| logD: | 2.2083 |
| logSw: | -2.9457 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 113.732 |
| InChI Key: | ZKCMAVWYXSLMHH-UHFFFAOYSA-N |