2-[(3,4-dimethoxyphenyl)methyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-[(3,4-dimethoxyphenyl)methyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
2-[(3,4-dimethoxyphenyl)methyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | 2730-0676 |
| Compound Name: | 2-[(3,4-dimethoxyphenyl)methyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 380.47 |
| Molecular Formula: | C20 H20 N4 O2 S |
| Smiles: | COc1ccc(Cc2nc3c4c5CCCCc5sc4N=Cn3n2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.4623 |
| logD: | 3.4622 |
| logSw: | -4.0408 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.827 |
| InChI Key: | JEIRHEHHFSIMBK-UHFFFAOYSA-N |