2-(ethylsulfanyl)ethyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
2-(ethylsulfanyl)ethyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2-(ethylsulfanyl)ethyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 5991-0002 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 365.41 |
| Molecular Formula: | C16 H19 N3 O5 S |
| Smiles: | CCSCCOC(C1C(c2ccc(cc2)[N+]([O-])=O)NC(NC=1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9932 |
| logD: | 1.8429 |
| logSw: | -2.5793 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.121 |
| InChI Key: | MJNXHNZYFAAQFQ-AWEZNQCLSA-N |