N-(4-butylphenyl)-2-[4-(2-methylpropyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamide
Chemical Structure Depiction of
N-(4-butylphenyl)-2-[4-(2-methylpropyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamide
N-(4-butylphenyl)-2-[4-(2-methylpropyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamide
Compound characteristics
| Compound ID: | L397-0404 |
| Compound Name: | N-(4-butylphenyl)-2-[4-(2-methylpropyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamide |
| Molecular Weight: | 453.56 |
| Molecular Formula: | C23 H27 N5 O3 S |
| Smiles: | CCCCc1ccc(cc1)NC(CN1C(N2C(=N1)N(CC(C)C)C(c1c2ccs1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2358 |
| logD: | 5.2358 |
| logSw: | -4.9602 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.375 |
| InChI Key: | ODZHSVMBECAOMR-UHFFFAOYSA-N |