8-nitro-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
8-nitro-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
8-nitro-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | K263-0161 |
| Compound Name: | 8-nitro-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 383.45 |
| Molecular Formula: | C18 H13 N3 O3 S2 |
| Smiles: | C(CN1C(c2c(c3cc(ccc3s2)[N+]([O-])=O)NC1=S)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0653 |
| logD: | 4.0461 |
| logSw: | -4.2455 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.173 |
| InChI Key: | VEFLNOJQZDLADG-UHFFFAOYSA-N |