6-(ethanesulfonyl)-4-({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-(ethanesulfonyl)-4-({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-2H-1,4-benzoxazin-3(4H)-one
6-(ethanesulfonyl)-4-({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L111-0369 |
| Compound Name: | 6-(ethanesulfonyl)-4-({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 445.51 |
| Molecular Formula: | C20 H19 N3 O5 S2 |
| Smiles: | CCS(c1ccc2c(c1)N(Cc1nc(c3ccc(cc3)SC)no1)C(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2308 |
| logD: | 3.2308 |
| logSw: | -3.6794 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.448 |
| InChI Key: | PLBUCUKSCVPNDE-UHFFFAOYSA-N |