methyl 4-(2,5-dimethylphenyl)-2-oxo-6-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 4-(2,5-dimethylphenyl)-2-oxo-6-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 4-(2,5-dimethylphenyl)-2-oxo-6-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8020-4381 |
| Compound Name: | methyl 4-(2,5-dimethylphenyl)-2-oxo-6-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 450.52 |
| Molecular Formula: | C22 H22 N6 O3 S |
| Smiles: | Cc1ccc(C)c(c1)C1C(=C(CSc2nnnn2c2ccccc2)NC(N1)=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5535 |
| logD: | 3.3687 |
| logSw: | -3.721 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.123 |
| InChI Key: | QQQFKEHBDIAHPB-LJQANCHMSA-N |