methyl 2-{4-[(2-chlorophenoxy)methyl]phenyl}-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Chemical Structure Depiction of
methyl 2-{4-[(2-chlorophenoxy)methyl]phenyl}-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
methyl 2-{4-[(2-chlorophenoxy)methyl]phenyl}-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Compound characteristics
| Compound ID: | Y502-3206 |
| Compound Name: | methyl 2-{4-[(2-chlorophenoxy)methyl]phenyl}-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate |
| Molecular Weight: | 464.93 |
| Molecular Formula: | C23 H17 Cl N4 O3 S |
| Smiles: | Cc1c2c3nc(c4ccc(COc5ccccc5[Cl])cc4)nn3cnc2sc1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.3443 |
| logD: | 5.3402 |
| logSw: | -5.8947 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.607 |
| InChI Key: | BENFLAKEUNHACY-UHFFFAOYSA-N |