ethyl 2-(4-chlorophenyl)-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-(4-chlorophenyl)-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 2-(4-chlorophenyl)-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | D043-0025 |
| Compound Name: | ethyl 2-(4-chlorophenyl)-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 318.72 |
| Molecular Formula: | C14 H11 Cl N4 O3 |
| Smiles: | CCOC(C1=CNc2nc(c3ccc(cc3)[Cl])nn2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.505 |
| logD: | 0.7539 |
| logSw: | -3.4618 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.243 |
| InChI Key: | BWEHFTPIZJBWLO-UHFFFAOYSA-N |