N-[(2,3-dimethoxyphenyl)methyl]-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-[(2,3-dimethoxyphenyl)methyl]-2-[(8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetamide
N-[(2,3-dimethoxyphenyl)methyl]-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: | C201-1157 |
| Compound Name: | N-[(2,3-dimethoxyphenyl)methyl]-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: | 469.58 |
| Molecular Formula: | C22 H23 N5 O3 S2 |
| Smiles: | COc1cccc(CNC(CSc2nnc3c4c5CCCCc5sc4N=Cn23)=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 3.2874 |
| logD: | 3.2873 |
| logSw: | -3.7012 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.654 |
| InChI Key: | REFULEGWKYSJJE-UHFFFAOYSA-N |