ethyl 4-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-7-(4-methylphenyl)-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]-5-methyl-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 4-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | D529-0141 |
| Compound Name: | ethyl 4-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 479.97 |
| Molecular Formula: | C25 H26 Cl N5 O3 |
| Smiles: | CCOC(C1C(c2ccc(C)cc2)n2c(ncn2)N(CC(Nc2ccc(C)c(c2)[Cl])=O)C=1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5269 |
| logD: | 5.5266 |
| logSw: | -6.0667 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.124 |
| InChI Key: | BBLZXCNUBXKMNR-HSZRJFAPSA-N |