propan-2-yl 6-[(4-chlorophenyl)carbamoyl]-5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
Chemical Structure Depiction of
propan-2-yl 6-[(4-chlorophenyl)carbamoyl]-5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
propan-2-yl 6-[(4-chlorophenyl)carbamoyl]-5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
Compound characteristics
| Compound ID: | C554-0005 |
| Compound Name: | propan-2-yl 6-[(4-chlorophenyl)carbamoyl]-5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate |
| Molecular Weight: | 451.91 |
| Molecular Formula: | C23 H22 Cl N5 O3 |
| Smiles: | CC(C)OC(c1nc2NC(C)=C(C(c3ccccc3)n2n1)C(Nc1ccc(cc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6505 |
| logD: | 4.6375 |
| logSw: | -4.8655 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.573 |
| InChI Key: | XYCKMKBFQWIZID-IBGZPJMESA-N |