6-(ethanesulfonyl)-4-{[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-(ethanesulfonyl)-4-{[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
6-(ethanesulfonyl)-4-{[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L111-0348 |
| Compound Name: | 6-(ethanesulfonyl)-4-{[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 429.45 |
| Molecular Formula: | C20 H19 N3 O6 S |
| Smiles: | CCS(c1ccc2c(c1)N(Cc1nc(c3cccc(c3)OC)no1)C(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5719 |
| logD: | 2.5719 |
| logSw: | -3.0393 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 91.991 |
| InChI Key: | XVBLFXIRWKNPJW-UHFFFAOYSA-N |