3-[2-(4-chlorophenyl)ethyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[2-(4-chlorophenyl)ethyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
3-[2-(4-chlorophenyl)ethyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K292-0177 |
| Compound Name: | 3-[2-(4-chlorophenyl)ethyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 457.96 |
| Molecular Formula: | C21 H16 Cl N3 O3 S2 |
| Smiles: | C(CN1C(=Nc2ccsc2C1=O)SCc1cccc(c1)[N+]([O-])=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.5447 |
| logD: | 5.5447 |
| logSw: | -5.9739 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.149 |
| InChI Key: | SNEWVBHVPLNZNX-UHFFFAOYSA-N |