2-[(2,3-dimethylphenoxy)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-[(2,3-dimethylphenoxy)methyl]-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
2-[(2,3-dimethylphenoxy)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: | 5137-3647 |
| Compound Name: | 2-[(2,3-dimethylphenoxy)methyl]-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 378.49 |
| Molecular Formula: | C21 H22 N4 O S |
| Smiles: | Cc1cccc(c1C)OCc1nc2c3c4CCCCCc4sc3N=Cn2n1 |
| Stereo: | ACHIRAL |
| logP: | 5.003 |
| logD: | 5.0012 |
| logSw: | -4.7078 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.483 |
| InChI Key: | QFNJISORJGOOHQ-UHFFFAOYSA-N |