2-(methylsulfanyl)ethyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
2-(methylsulfanyl)ethyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2-(methylsulfanyl)ethyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 4568-7325 |
| Compound Name: | 2-(methylsulfanyl)ethyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 397.4 |
| Molecular Formula: | C16 H19 N3 O7 S |
| Smiles: | CC1=C(C(c2cc(c(c(c2)OC)O)[N+]([O-])=O)NC(N1)=O)C(=O)OCCSC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2292 |
| logD: | 0.4162 |
| logSw: | -2.4254 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 112.929 |
| InChI Key: | UVGACNYOLGHBLQ-ZDUSSCGKSA-N |