methyl 2-(2-{1,5-dioxo-4-[(thiophen-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{1,5-dioxo-4-[(thiophen-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl}acetamido)benzoate
methyl 2-(2-{1,5-dioxo-4-[(thiophen-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | L397-0572 |
| Compound Name: | methyl 2-(2-{1,5-dioxo-4-[(thiophen-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl}acetamido)benzoate |
| Molecular Weight: | 495.53 |
| Molecular Formula: | C22 H17 N5 O5 S2 |
| Smiles: | COC(c1ccccc1NC(CN1C(N2C(=N1)N(Cc1cccs1)C(c1c2ccs1)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0083 |
| logD: | 3.0033 |
| logSw: | -3.4729 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.597 |
| InChI Key: | AMPHQSNALCDZDY-UHFFFAOYSA-N |