6-(ethanesulfonyl)-4-{[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-(ethanesulfonyl)-4-{[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
6-(ethanesulfonyl)-4-{[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L111-0367 |
| Compound Name: | 6-(ethanesulfonyl)-4-{[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 427.48 |
| Molecular Formula: | C21 H21 N3 O5 S |
| Smiles: | CCc1ccc(cc1)c1nc(CN2C(COc3ccc(cc23)S(CC)(=O)=O)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.4421 |
| logD: | 3.4421 |
| logSw: | -3.9335 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 84.448 |
| InChI Key: | NRSJVZFESUDGLS-UHFFFAOYSA-N |