N-(4-methoxyphenyl)-6-[4-oxo-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-3(4H)-yl]hexanamide
Chemical Structure Depiction of
N-(4-methoxyphenyl)-6-[4-oxo-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-3(4H)-yl]hexanamide
N-(4-methoxyphenyl)-6-[4-oxo-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-3(4H)-yl]hexanamide
Compound characteristics
| Compound ID: | K292-1233 |
| Compound Name: | N-(4-methoxyphenyl)-6-[4-oxo-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-3(4H)-yl]hexanamide |
| Molecular Weight: | 561.68 |
| Molecular Formula: | C28 H27 N5 O4 S2 |
| Smiles: | COc1ccc(cc1)NC(CCCCCN1C(=Nc2ccsc2C1=O)SCC1=CC(N2C=CC=CC2=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6647 |
| logD: | 3.6647 |
| logSw: | -3.9838 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.447 |
| InChI Key: | LRHGCQAHDNKSFJ-UHFFFAOYSA-N |