N-(2-methyl-3-nitrophenyl)-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Chemical Structure Depiction of
N-(2-methyl-3-nitrophenyl)-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
N-(2-methyl-3-nitrophenyl)-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Compound characteristics
| Compound ID: | C909-0415 |
| Compound Name: | N-(2-methyl-3-nitrophenyl)-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide |
| Molecular Weight: | 414.46 |
| Molecular Formula: | C19 H14 N2 O5 S2 |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)NC(c1cc2CS(c3ccccc3c2s1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.025 |
| logD: | 4.0239 |
| logSw: | -4.2672 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.906 |
| InChI Key: | BCQDEPCGWZPPTE-UHFFFAOYSA-N |