3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-(3,5-dimethylphenyl)propanamide
Chemical Structure Depiction of
3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-(3,5-dimethylphenyl)propanamide
3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-(3,5-dimethylphenyl)propanamide
Compound characteristics
| Compound ID: | F084-0680 |
| Compound Name: | 3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-(3,5-dimethylphenyl)propanamide |
| Molecular Weight: | 423.54 |
| Molecular Formula: | C22 H25 N5 O2 S |
| Smiles: | CCCCN1C(c2c(ccs2)n2c(CCC(Nc3cc(C)cc(C)c3)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7664 |
| logD: | 3.7664 |
| logSw: | -3.7606 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.124 |
| InChI Key: | PEKVKYMXVORTPA-UHFFFAOYSA-N |