ethyl 4-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-7-(4-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 4-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-7-(4-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 4-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-7-(4-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | D529-0241 |
| Compound Name: | ethyl 4-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-7-(4-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 483.93 |
| Molecular Formula: | C24 H23 Cl F N5 O3 |
| Smiles: | CCOC(C1C(c2ccc(cc2)F)n2c(ncn2)N(CC(Nc2ccc(C)c(c2)[Cl])=O)C=1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1325 |
| logD: | 5.1323 |
| logSw: | -5.7173 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.124 |
| InChI Key: | BYAVPGIRUYXDNP-JOCHJYFZSA-N |