2-[(3,4-dimethoxyphenyl)methyl]-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-[(3,4-dimethoxyphenyl)methyl]-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
2-[(3,4-dimethoxyphenyl)methyl]-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | 4072-2795 |
| Compound Name: | 2-[(3,4-dimethoxyphenyl)methyl]-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 394.49 |
| Molecular Formula: | C21 H22 N4 O2 S |
| Smiles: | COc1ccc(Cc2nc3c4c5CCCCCc5sc4N=Cn3n2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.9582 |
| logD: | 3.9577 |
| logSw: | -4.3762 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.158 |
| InChI Key: | NLHMCEPNTYBOFJ-UHFFFAOYSA-N |