4-{[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-6-(ethanesulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-{[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-6-(ethanesulfonyl)-2H-1,4-benzoxazin-3(4H)-one
4-{[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-6-(ethanesulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L111-0354 |
| Compound Name: | 4-{[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-6-(ethanesulfonyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 427.48 |
| Molecular Formula: | C21 H21 N3 O5 S |
| Smiles: | CCS(c1ccc2c(c1)N(Cc1nc(c3ccc(C)c(C)c3)no1)C(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4956 |
| logD: | 3.4956 |
| logSw: | -3.8996 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 84.448 |
| InChI Key: | DAZYWRCRCZBGAJ-UHFFFAOYSA-N |