3-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-2-{[(4-nitrophenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-2-{[(4-nitrophenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
3-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-2-{[(4-nitrophenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K292-2083 |
| Compound Name: | 3-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-2-{[(4-nitrophenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 551.69 |
| Molecular Formula: | C27 H29 N5 O4 S2 |
| Smiles: | COc1ccc(cc1)N1CCN(CCCN2C(=Nc3ccsc3C2=O)SCc2ccc(cc2)[N+]([O-])=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.6485 |
| logD: | 4.5136 |
| logSw: | -4.2157 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.936 |
| InChI Key: | LNPAOZKWXBYIEB-UHFFFAOYSA-N |