methyl 4-(2-chlorophenyl)-6-{[(1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 4-(2-chlorophenyl)-6-{[(1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 4-(2-chlorophenyl)-6-{[(1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8020-4521 |
| Compound Name: | methyl 4-(2-chlorophenyl)-6-{[(1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 393.85 |
| Molecular Formula: | C16 H16 Cl N5 O3 S |
| Smiles: | Cn1c(ncn1)SCC1=C(C(c2ccccc2[Cl])NC(N1)=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8397 |
| logD: | 1.6864 |
| logSw: | -2.5671 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.067 |
| InChI Key: | XLKDQILQFNMLJJ-ZDUSSCGKSA-N |