ethyl 2-{3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Chemical Structure Depiction of
ethyl 2-{3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
ethyl 2-{3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Compound characteristics
| Compound ID: | Y502-2771 |
| Compound Name: | ethyl 2-{3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate |
| Molecular Weight: | 446.53 |
| Molecular Formula: | C23 H22 N6 O2 S |
| Smiles: | CCOC(c1c(C)c2c3nc(c4cccc(Cn5c(C)cc(C)n5)c4)nn3cnc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7563 |
| logD: | 3.7522 |
| logSw: | -4.1034 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.608 |
| InChI Key: | OJVMCYLQNYWPCD-UHFFFAOYSA-N |