N-(3,5-dimethoxyphenyl)-2-[4-(3-methylbutyl)-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-(3,5-dimethoxyphenyl)-2-[4-(3-methylbutyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamide
N-(3,5-dimethoxyphenyl)-2-[4-(3-methylbutyl)-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: | L397-0243 |
| Compound Name: | N-(3,5-dimethoxyphenyl)-2-[4-(3-methylbutyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamide |
| Molecular Weight: | 471.53 |
| Molecular Formula: | C22 H25 N5 O5 S |
| Smiles: | CC(C)CCN1C2=NN(CC(Nc3cc(cc(c3)OC)OC)=O)C(N2c2ccsc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.743 |
| logD: | 3.7429 |
| logSw: | -4.0066 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.44 |
| InChI Key: | ORFPMXJWGDYBTD-UHFFFAOYSA-N |