4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
Chemical Structure Depiction of
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
Compound characteristics
| Compound ID: | L309-0639 |
| Compound Name: | 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide |
| Molecular Weight: | 442.49 |
| Molecular Formula: | C21 H22 N4 O5 S |
| Smiles: | CCc1nc(CN2C(COc3ccc(cc23)S(NCc2ccccc2C)(=O)=O)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 3.3865 |
| logD: | 3.3861 |
| logSw: | -3.8403 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.432 |
| InChI Key: | MWSQUOUTOMRQEU-UHFFFAOYSA-N |