2-(methylsulfanyl)ethyl 6-methyl-4-(4-methyl-3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
2-(methylsulfanyl)ethyl 6-methyl-4-(4-methyl-3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2-(methylsulfanyl)ethyl 6-methyl-4-(4-methyl-3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 4415-7221 |
| Compound Name: | 2-(methylsulfanyl)ethyl 6-methyl-4-(4-methyl-3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 365.41 |
| Molecular Formula: | C16 H19 N3 O5 S |
| Smiles: | CC1=C(C(c2ccc(C)c(c2)[N+]([O-])=O)NC(N1)=O)C(=O)OCCSC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1095 |
| logD: | 1.9593 |
| logSw: | -2.9229 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.82 |
| InChI Key: | MVSYBBNZRMSFDA-AWEZNQCLSA-N |