7,9-dimethyl-2-{[4-(propan-2-yl)phenoxy]methyl}pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
7,9-dimethyl-2-{[4-(propan-2-yl)phenoxy]methyl}pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
7,9-dimethyl-2-{[4-(propan-2-yl)phenoxy]methyl}pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | D643-0006 |
| Compound Name: | 7,9-dimethyl-2-{[4-(propan-2-yl)phenoxy]methyl}pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 403.5 |
| Molecular Formula: | C22 H21 N5 O S |
| Smiles: | CC(C)c1ccc(cc1)OCc1nc2c3c(c4c(C)cc(C)nc4s3)ncn2n1 |
| Stereo: | ACHIRAL |
| logP: | 5.1728 |
| logD: | 5.0272 |
| logSw: | -5.3244 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.517 |
| InChI Key: | NSXYHJVEECJTAA-UHFFFAOYSA-N |