6-tert-butyl-4-({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-tert-butyl-4-({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-2H-1,4-benzoxazin-3(4H)-one
6-tert-butyl-4-({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L111-0315 |
| Compound Name: | 6-tert-butyl-4-({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 409.51 |
| Molecular Formula: | C22 H23 N3 O3 S |
| Smiles: | CC(C)(C)c1ccc2c(c1)N(Cc1nc(c3ccc(cc3)SC)no1)C(CO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3969 |
| logD: | 5.3969 |
| logSw: | -5.4249 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.411 |
| InChI Key: | ICXYKJDKUROCDP-UHFFFAOYSA-N |