4-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-6-(ethanesulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-6-(ethanesulfonyl)-2H-1,4-benzoxazin-3(4H)-one
4-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-6-(ethanesulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L111-0341 |
| Compound Name: | 4-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-6-(ethanesulfonyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 459.48 |
| Molecular Formula: | C21 H21 N3 O7 S |
| Smiles: | CCS(c1ccc2c(c1)N(Cc1nc(c3ccc(c(c3)OC)OC)no1)C(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1339 |
| logD: | 2.1339 |
| logSw: | -2.8864 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 99.708 |
| InChI Key: | TUKGGDXUHZQLEA-UHFFFAOYSA-N |