6-(ethanesulfonyl)-4-[(3-{4-[(propan-2-yl)oxy]phenyl}-1,2,4-oxadiazol-5-yl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-(ethanesulfonyl)-4-[(3-{4-[(propan-2-yl)oxy]phenyl}-1,2,4-oxadiazol-5-yl)methyl]-2H-1,4-benzoxazin-3(4H)-one
6-(ethanesulfonyl)-4-[(3-{4-[(propan-2-yl)oxy]phenyl}-1,2,4-oxadiazol-5-yl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L111-0338 |
| Compound Name: | 6-(ethanesulfonyl)-4-[(3-{4-[(propan-2-yl)oxy]phenyl}-1,2,4-oxadiazol-5-yl)methyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 457.5 |
| Molecular Formula: | C22 H23 N3 O6 S |
| Smiles: | CCS(c1ccc2c(c1)N(Cc1nc(c3ccc(cc3)OC(C)C)no1)C(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.178 |
| logD: | 3.178 |
| logSw: | -3.6196 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 91.25 |
| InChI Key: | GZVDATAQGCCSSL-UHFFFAOYSA-N |