methyl 4-(2,5-dimethylphenyl)-6-{[(4-fluorophenyl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 4-(2,5-dimethylphenyl)-6-{[(4-fluorophenyl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 4-(2,5-dimethylphenyl)-6-{[(4-fluorophenyl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8020-4610 |
| Compound Name: | methyl 4-(2,5-dimethylphenyl)-6-{[(4-fluorophenyl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 400.47 |
| Molecular Formula: | C21 H21 F N2 O3 S |
| Smiles: | Cc1ccc(C)c(c1)C1C(=C(CSc2ccc(cc2)F)NC(N1)=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.316 |
| logD: | 4.0524 |
| logSw: | -4.2047 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.201 |
| InChI Key: | AERGNOVIUJZUOU-LJQANCHMSA-N |