N-(2-methyl-3-nitrophenyl)-4H-[1]benzothiopyrano[3,4-d][1,2]oxazole-3-carboxamide
Chemical Structure Depiction of
N-(2-methyl-3-nitrophenyl)-4H-[1]benzothiopyrano[3,4-d][1,2]oxazole-3-carboxamide
N-(2-methyl-3-nitrophenyl)-4H-[1]benzothiopyrano[3,4-d][1,2]oxazole-3-carboxamide
Compound characteristics
| Compound ID: | E146-0954 |
| Compound Name: | N-(2-methyl-3-nitrophenyl)-4H-[1]benzothiopyrano[3,4-d][1,2]oxazole-3-carboxamide |
| Molecular Weight: | 367.38 |
| Molecular Formula: | C18 H13 N3 O4 S |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)NC(c1c2CSc3ccccc3c2on1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9826 |
| logD: | 3.9686 |
| logSw: | -4.3087 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.793 |
| InChI Key: | KKPADLROZQLGOY-UHFFFAOYSA-N |