methyl 2-{3-[(2,4-dimethylphenoxy)methyl]phenyl}-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Chemical Structure Depiction of
methyl 2-{3-[(2,4-dimethylphenoxy)methyl]phenyl}-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
methyl 2-{3-[(2,4-dimethylphenoxy)methyl]phenyl}-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Compound characteristics
| Compound ID: | Y503-1364 |
| Compound Name: | methyl 2-{3-[(2,4-dimethylphenoxy)methyl]phenyl}-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate |
| Molecular Weight: | 458.54 |
| Molecular Formula: | C25 H22 N4 O3 S |
| Smiles: | Cc1ccc(c(C)c1)OCc1cccc(c1)c1nc2c3c(C)c(C(=O)OC)sc3ncn2n1 |
| Stereo: | ACHIRAL |
| logP: | 6.1368 |
| logD: | 6.1327 |
| logSw: | -5.9038 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.607 |
| InChI Key: | TXEYXQNWBFCMTC-UHFFFAOYSA-N |