N-(3-chloro-4-methoxyphenyl)-2-(3-oxothieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-2-(3-oxothieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
N-(3-chloro-4-methoxyphenyl)-2-(3-oxothieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
Compound characteristics
| Compound ID: | L386-0003 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-2-(3-oxothieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide |
| Molecular Weight: | 389.82 |
| Molecular Formula: | C16 H12 Cl N5 O3 S |
| Smiles: | COc1ccc(cc1[Cl])NC(CN1C(N2C=Nc3ccsc3C2=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6137 |
| logD: | 2.6136 |
| logSw: | -3.322 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.486 |
| InChI Key: | KXMLXNCGGKSNGN-UHFFFAOYSA-N |