2-(2-benzyl-5-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-6(5H)-yl)-N-(2-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-(2-benzyl-5-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-6(5H)-yl)-N-(2-methoxyphenyl)acetamide
2-(2-benzyl-5-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-6(5H)-yl)-N-(2-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | IB08-3029 |
| Compound Name: | 2-(2-benzyl-5-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-6(5H)-yl)-N-(2-methoxyphenyl)acetamide |
| Molecular Weight: | 499.59 |
| Molecular Formula: | C27 H25 N5 O3 S |
| Smiles: | COc1ccccc1NC(CN1C(n2c(c3c4CCCCc4sc13)nc(Cc1ccccc1)n2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.08 |
| logD: | 5.08 |
| logSw: | -6.13 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.95 |
| InChI Key: | UKIKLSZJHJDHPJ-UHFFFAOYSA-N |