methyl 4-(4-methylphenyl)-6-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 4-(4-methylphenyl)-6-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 4-(4-methylphenyl)-6-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8020-4537 |
| Compound Name: | methyl 4-(4-methylphenyl)-6-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 374.42 |
| Molecular Formula: | C16 H18 N6 O3 S |
| Smiles: | Cc1ccc(cc1)C1C(=C(CSc2nnnn2C)NC(N1)=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3114 |
| logD: | 1.0925 |
| logSw: | -2.2067 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.544 |
| InChI Key: | FMUPSSANPNVINQ-CYBMUJFWSA-N |