methyl 4-[2-(4-butyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-(4-butyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl)acetamido]benzoate
methyl 4-[2-(4-butyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | L397-0496 |
| Compound Name: | methyl 4-[2-(4-butyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl)acetamido]benzoate |
| Molecular Weight: | 455.49 |
| Molecular Formula: | C21 H21 N5 O5 S |
| Smiles: | CCCCN1C2=NN(CC(Nc3ccc(cc3)C(=O)OC)=O)C(N2c2ccsc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3796 |
| logD: | 3.3796 |
| logSw: | -3.6199 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.527 |
| InChI Key: | YFWPUYZCUKJZGM-UHFFFAOYSA-N |