4-[4-(3-methoxypropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]-N-[(4-methylphenyl)methyl]butanamide
Chemical Structure Depiction of
4-[4-(3-methoxypropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]-N-[(4-methylphenyl)methyl]butanamide
4-[4-(3-methoxypropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]-N-[(4-methylphenyl)methyl]butanamide
Compound characteristics
| Compound ID: | E596-0297 |
| Compound Name: | 4-[4-(3-methoxypropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]-N-[(4-methylphenyl)methyl]butanamide |
| Molecular Weight: | 453.56 |
| Molecular Formula: | C23 H27 N5 O3 S |
| Smiles: | Cc1ccc(CNC(CCCc2nnc3N(CCCOC)C(c4c(ccs4)n23)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.2959 |
| logD: | 2.2959 |
| logSw: | -2.7403 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.788 |
| InChI Key: | TUGBUBWNXJEZEN-UHFFFAOYSA-N |