3-(4-chloro-3-methylphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-(4-chloro-3-methylphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
3-(4-chloro-3-methylphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K292-0897 |
| Compound Name: | 3-(4-chloro-3-methylphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 443.93 |
| Molecular Formula: | C20 H14 Cl N3 O3 S2 |
| Smiles: | Cc1cc(ccc1[Cl])N1C(=Nc2ccsc2C1=O)SCc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.7507 |
| logD: | 5.7507 |
| logSw: | -5.9834 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.559 |
| InChI Key: | NDWMYKCEQVNIFY-UHFFFAOYSA-N |