2-(phenoxymethyl)-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-(phenoxymethyl)-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
2-(phenoxymethyl)-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: | 4072-2806 |
| Compound Name: | 2-(phenoxymethyl)-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 350.44 |
| Molecular Formula: | C19 H18 N4 O S |
| Smiles: | C1CCc2c3c4nc(COc5ccccc5)nn4C=Nc3sc2CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.0965 |
| logD: | 4.0947 |
| logSw: | -4.4966 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.397 |
| InChI Key: | BWPNYCDQYRFCAC-UHFFFAOYSA-N |