N-[(4-methylphenyl)methyl]-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-methylphenyl)methyl]-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-methylphenyl)methyl]-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: | K292-1153 |
| Compound Name: | N-[(4-methylphenyl)methyl]-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: | 559.71 |
| Molecular Formula: | C29 H29 N5 O3 S2 |
| Smiles: | Cc1ccc(CNC(CCCCCN2C(=Nc3ccsc3C2=O)SCC2=CC(N3C=CC=CC3=N2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.806 |
| logD: | 3.806 |
| logSw: | -3.9003 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.226 |
| InChI Key: | OQWUHMCCYYEHSF-UHFFFAOYSA-N |