methyl 6-[(4-chlorophenyl)carbamoyl]-5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
Chemical Structure Depiction of
methyl 6-[(4-chlorophenyl)carbamoyl]-5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
methyl 6-[(4-chlorophenyl)carbamoyl]-5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
Compound characteristics
| Compound ID: | C554-0114 |
| Compound Name: | methyl 6-[(4-chlorophenyl)carbamoyl]-5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate |
| Molecular Weight: | 468.85 |
| Molecular Formula: | C21 H17 Cl N6 O5 |
| Smiles: | CC1=C(C(c2ccc(cc2)[N+]([O-])=O)n2c(N1)nc(C(=O)OC)n2)C(Nc1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7576 |
| logD: | 3.7446 |
| logSw: | -4.6934 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.696 |
| InChI Key: | MTHVRUPJMKAZRQ-KRWDZBQOSA-N |