2-[(4-chlorophenoxy)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-[(4-chlorophenoxy)methyl]-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
2-[(4-chlorophenoxy)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: | 4072-2786 |
| Compound Name: | 2-[(4-chlorophenoxy)methyl]-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 384.89 |
| Molecular Formula: | C19 H17 Cl N4 O S |
| Smiles: | C1CCc2c3c4nc(COc5ccc(cc5)[Cl])nn4C=Nc3sc2CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.7198 |
| logD: | 4.718 |
| logSw: | -5.1946 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.397 |
| InChI Key: | IIMHZWHJJPXEEI-UHFFFAOYSA-N |