2-(3,4-dimethoxyphenyl)-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)-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)-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: | 4072-2785 |
| Compound Name: | 2-(3,4-dimethoxyphenyl)-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 380.47 |
| Molecular Formula: | C20 H20 N4 O2 S |
| Smiles: | COc1ccc(cc1OC)c1nc2c3c4CCCCCc4sc3N=Cn2n1 |
| Stereo: | ACHIRAL |
| logP: | 4.2167 |
| logD: | 4.215 |
| logSw: | -4.5725 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.168 |
| InChI Key: | OVLQWGZWSBFNKC-UHFFFAOYSA-N |