N-[2-(3,4-dimethoxyphenyl)ethyl]-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-[2-(3,4-dimethoxyphenyl)ethyl]-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-[2-(3,4-dimethoxyphenyl)ethyl]-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: | K292-1363 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-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: | 619.76 |
| Molecular Formula: | C31 H33 N5 O5 S2 |
| Smiles: | COc1ccc(CCNC(CCCCCN2C(=Nc3ccsc3C2=O)SCC2=CC(N3C=CC=CC3=N2)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.6744 |
| logD: | 2.6744 |
| logSw: | -3.0796 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.328 |
| InChI Key: | FBLIWZGTSDHQTQ-UHFFFAOYSA-N |