2-(3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-(3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
2-(3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C201-1206 |
| Compound Name: | 2-(3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)-N-(3,4,5-trimethoxyphenyl)acetamide |
| Molecular Weight: | 469.52 |
| Molecular Formula: | C22 H23 N5 O5 S |
| Smiles: | COc1cc(cc(c1OC)OC)NC(CN1C(N2C=Nc3c(C2=N1)c1CCCCc1s3)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5992 |
| logD: | 2.5991 |
| logSw: | -2.9574 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.638 |
| InChI Key: | WLRKZCIMTMXOOT-UHFFFAOYSA-N |