methyl 4-(4-methoxyphenyl)-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-(4-methoxyphenyl)-6-{[(1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 4-(4-methoxyphenyl)-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: | 8020-4509 |
| Compound Name: | methyl 4-(4-methoxyphenyl)-6-{[(1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 389.43 |
| Molecular Formula: | C17 H19 N5 O4 S |
| Smiles: | Cn1c(ncn1)SCC1=C(C(c2ccc(cc2)OC)NC(N1)=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1461 |
| logD: | 0.9376 |
| logSw: | -2.1906 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.611 |
| InChI Key: | FBMHMIFRSXKJER-CQSZACIVSA-N |