N-(4-chloro-3-methoxyphenyl)-2-[(8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-chloro-3-methoxyphenyl)-2-[(8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetamide
N-(4-chloro-3-methoxyphenyl)-2-[(8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C201-1224 |
| Compound Name: | N-(4-chloro-3-methoxyphenyl)-2-[(8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 459.97 |
| Molecular Formula: | C20 H18 Cl N5 O2 S2 |
| Smiles: | COc1cc(ccc1[Cl])NC(CSc1nnc2c3c4CCCCc4sc3N=Cn12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8636 |
| logD: | 3.8627 |
| logSw: | -4.5359 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.615 |
| InChI Key: | PLSMQQHEMCOXOJ-UHFFFAOYSA-N |