N-(4-cyanophenyl)-4-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
Chemical Structure Depiction of
N-(4-cyanophenyl)-4-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
N-(4-cyanophenyl)-4-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
Compound characteristics
| Compound ID: | L309-1307 |
| Compound Name: | N-(4-cyanophenyl)-4-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide |
| Molecular Weight: | 465.49 |
| Molecular Formula: | C22 H19 N5 O5 S |
| Smiles: | C1CC(C1)c1nc(CN2C(COc3ccc(cc23)S(Nc2ccc(C#N)cc2)(=O)=O)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 2.555 |
| logD: | 2.2554 |
| logSw: | -3.0666 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 114.965 |
| InChI Key: | NVDRPMBLWOZBFJ-UHFFFAOYSA-N |