4-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-N-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
Chemical Structure Depiction of
4-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-N-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
4-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-N-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
Compound characteristics
| Compound ID: | L309-1197 |
| Compound Name: | 4-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-N-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide |
| Molecular Weight: | 455.49 |
| Molecular Formula: | C21 H21 N5 O5 S |
| Smiles: | C1CC(C1)c1nc(CN2C(COc3ccc(cc23)S(NCc2ccccn2)(=O)=O)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 1.7714 |
| logD: | 1.766 |
| logSw: | -2.765 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.561 |
| InChI Key: | JEYHZYGNSLXJHQ-UHFFFAOYSA-N |