methyl 4-(4-chlorophenyl)-2-oxo-6-[(1H-1,2,4-triazol-1-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 4-(4-chlorophenyl)-2-oxo-6-[(1H-1,2,4-triazol-1-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 4-(4-chlorophenyl)-2-oxo-6-[(1H-1,2,4-triazol-1-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8017-6349 |
| Compound Name: | methyl 4-(4-chlorophenyl)-2-oxo-6-[(1H-1,2,4-triazol-1-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 347.76 |
| Molecular Formula: | C15 H14 Cl N5 O3 |
| Smiles: | COC(C1C(c2ccc(cc2)[Cl])NC(NC=1Cn1cncn1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.7046 |
| logD: | 0.4688 |
| logSw: | -2.5605 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.449 |
| InChI Key: | KTXFVEFFUFVGMQ-ZDUSSCGKSA-N |