1-{7-[3-methoxy-4-(pentyloxy)phenyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethan-1-one
Chemical Structure Depiction of
1-{7-[3-methoxy-4-(pentyloxy)phenyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethan-1-one
1-{7-[3-methoxy-4-(pentyloxy)phenyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethan-1-one
Compound characteristics
| Compound ID: | 5976-1041 |
| Compound Name: | 1-{7-[3-methoxy-4-(pentyloxy)phenyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethan-1-one |
| Molecular Weight: | 370.45 |
| Molecular Formula: | C20 H26 N4 O3 |
| Smiles: | CCCCCOc1ccc(cc1OC)C1C(=C(C)Nc2ncnn12)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5265 |
| logD: | 3.4583 |
| logSw: | -3.4823 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.951 |
| InChI Key: | SKAIHRKSQHDYOZ-IBGZPJMESA-N |