ethyl 6-{[(2,5-dichlorophenyl)sulfanyl]methyl}-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[(2,5-dichlorophenyl)sulfanyl]methyl}-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[(2,5-dichlorophenyl)sulfanyl]methyl}-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8015-7971 |
| Compound Name: | ethyl 6-{[(2,5-dichlorophenyl)sulfanyl]methyl}-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 482.34 |
| Molecular Formula: | C20 H17 Cl2 N3 O5 S |
| Smiles: | CCOC(C1C(c2cccc(c2)[N+]([O-])=O)NC(NC=1CSc1cc(ccc1[Cl])[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4178 |
| logD: | 4.1542 |
| logSw: | -4.6032 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.162 |
| InChI Key: | QUFWRJRXMSGILR-GOSISDBHSA-N |