2-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
2-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | 2730-0655 |
| Compound Name: | 2-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 392.52 |
| Molecular Formula: | C22 H24 N4 O S |
| Smiles: | CC(C)c1ccc(C)cc1OCc1nc2c3c4CCCCc4sc3N=Cn2n1 |
| Stereo: | ACHIRAL |
| logP: | 5.4107 |
| logD: | 5.4104 |
| logSw: | -5.4509 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.152 |
| InChI Key: | DDQAEJNSDQDOQI-UHFFFAOYSA-N |