2-{[5-methyl-2-(propan-2-yl)phenoxy]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-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
2-{[5-methyl-2-(propan-2-yl)phenoxy]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: | 4072-2789 |
| Compound Name: | 2-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 406.55 |
| Molecular Formula: | C23 H26 N4 O S |
| Smiles: | CC(C)c1ccc(C)cc1OCc1nc2c3c4CCCCCc4sc3N=Cn2n1 |
| Stereo: | ACHIRAL |
| logP: | 5.9066 |
| logD: | 5.9048 |
| logSw: | -5.4748 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.483 |
| InChI Key: | WKXICHWEPHTODG-UHFFFAOYSA-N |