4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
Chemical Structure Depiction of
4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
Compound characteristics
| Compound ID: | L309-0851 |
| Compound Name: | 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide |
| Molecular Weight: | 470.5 |
| Molecular Formula: | C22 H22 N4 O6 S |
| Smiles: | COc1ccc(CNS(c2ccc3c(c2)N(Cc2nc(C4CC4)on2)C(CO3)=O)(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.924 |
| logD: | 2.9239 |
| logSw: | -3.665 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.561 |
| InChI Key: | KYIPJDQCMIBFDV-UHFFFAOYSA-N |