3-[(5-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1,2,4-oxadiazole-5-carboxamide
Chemical Structure Depiction of
3-[(5-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1,2,4-oxadiazole-5-carboxamide
3-[(5-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | L914-1093 |
| Compound Name: | 3-[(5-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 444.89 |
| Molecular Formula: | C20 H17 Cl N4 O4 S |
| Smiles: | CSc1ccc(CCNC(c2nc(CN3C(=O)Oc4ccc(cc34)[Cl])no2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3913 |
| logD: | 3.3913 |
| logSw: | -4.1897 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.261 |
| InChI Key: | DZAYWBAWAMUSMN-UHFFFAOYSA-N |