N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[4-oxo-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-3(4H)-yl]butanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[4-oxo-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-3(4H)-yl]butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[4-oxo-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-3(4H)-yl]butanamide
Compound characteristics
| Compound ID: | K292-1346 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[4-oxo-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-3(4H)-yl]butanamide |
| Molecular Weight: | 561.64 |
| Molecular Formula: | C27 H23 N5 O5 S2 |
| Smiles: | C(CC(NCc1ccc2c(c1)OCO2)=O)CN1C(=Nc2ccsc2C1=O)SCC1=CC(N2C=CC=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2856 |
| logD: | 2.2856 |
| logSw: | -2.8236 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.341 |
| InChI Key: | UWKVZHMUCHOVKQ-UHFFFAOYSA-N |