6-(ethanesulfonyl)-4-{[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-(ethanesulfonyl)-4-{[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
6-(ethanesulfonyl)-4-{[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L111-0347 |
| Compound Name: | 6-(ethanesulfonyl)-4-{[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 473.5 |
| Molecular Formula: | C22 H23 N3 O7 S |
| Smiles: | CCOc1ccc(cc1OC)c1nc(CN2C(COc3ccc(cc23)S(CC)(=O)=O)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 2.4795 |
| logD: | 2.4795 |
| logSw: | -2.9162 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 99.288 |
| InChI Key: | KPLQKQQVPCKPLP-UHFFFAOYSA-N |