ethyl 4-(2,5-dimethylphenyl)-6-{[(4-fluorophenyl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(2,5-dimethylphenyl)-6-{[(4-fluorophenyl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(2,5-dimethylphenyl)-6-{[(4-fluorophenyl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8015-5844 |
| Compound Name: | ethyl 4-(2,5-dimethylphenyl)-6-{[(4-fluorophenyl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 414.5 |
| Molecular Formula: | C22 H23 F N2 O3 S |
| Smiles: | CCOC(C1C(c2cc(C)ccc2C)NC(NC=1CSc1ccc(cc1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7565 |
| logD: | 4.493 |
| logSw: | -4.4106 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.781 |
| InChI Key: | QNKMLEGNCMAVLO-HXUWFJFHSA-N |