N-methyl-2-[4-(2-methylpropyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]-N-phenylacetamide
Chemical Structure Depiction of
N-methyl-2-[4-(2-methylpropyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]-N-phenylacetamide
N-methyl-2-[4-(2-methylpropyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]-N-phenylacetamide
Compound characteristics
| Compound ID: | L397-0386 |
| Compound Name: | N-methyl-2-[4-(2-methylpropyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]-N-phenylacetamide |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C20 H21 N5 O3 S |
| Smiles: | CC(C)CN1C2=NN(CC(N(C)c3ccccc3)=O)C(N2c2ccsc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4631 |
| logD: | 2.4631 |
| logSw: | -2.5659 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.338 |
| InChI Key: | PQBJCWSRIITKMN-UHFFFAOYSA-N |