8-nitro-3-[(pyridin-2-yl)methyl]-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
8-nitro-3-[(pyridin-2-yl)methyl]-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
8-nitro-3-[(pyridin-2-yl)methyl]-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | K263-0154 |
| Compound Name: | 8-nitro-3-[(pyridin-2-yl)methyl]-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 370.41 |
| Molecular Formula: | C16 H10 N4 O3 S2 |
| Smiles: | C(c1ccccn1)N1C(c2c(c3cc(ccc3s2)[N+]([O-])=O)NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6799 |
| logD: | 2.6769 |
| logSw: | -3.0601 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.737 |
| InChI Key: | PAQKAWFZXFEBKV-UHFFFAOYSA-N |