5-(hydroxymethyl)-8-methyl-3-[5-(2-nitroanilino)-1,3,4-thiadiazol-2-yl]-2H-pyrano[2,3-c]pyridin-2-one
Chemical Structure Depiction of
5-(hydroxymethyl)-8-methyl-3-[5-(2-nitroanilino)-1,3,4-thiadiazol-2-yl]-2H-pyrano[2,3-c]pyridin-2-one
5-(hydroxymethyl)-8-methyl-3-[5-(2-nitroanilino)-1,3,4-thiadiazol-2-yl]-2H-pyrano[2,3-c]pyridin-2-one
Compound characteristics
| Compound ID: | K227-0584 |
| Compound Name: | 5-(hydroxymethyl)-8-methyl-3-[5-(2-nitroanilino)-1,3,4-thiadiazol-2-yl]-2H-pyrano[2,3-c]pyridin-2-one |
| Molecular Weight: | 411.39 |
| Molecular Formula: | C18 H13 N5 O5 S |
| Smiles: | Cc1c2c(C=C(C(=O)O2)c2nnc(Nc3ccccc3[N+]([O-])=O)s2)c(CO)cn1 |
| Stereo: | ACHIRAL |
| logP: | 2.947 |
| logD: | 2.947 |
| logSw: | -3.3951 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.243 |
| InChI Key: | OCOAJNZGVAINLK-UHFFFAOYSA-N |