2-(methylsulfanyl)ethyl 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
2-(methylsulfanyl)ethyl 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2-(methylsulfanyl)ethyl 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 3490-5470 |
| Compound Name: | 2-(methylsulfanyl)ethyl 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 367.38 |
| Molecular Formula: | C15 H17 N3 O6 S |
| Smiles: | CC1=C(C(c2ccc(c(c2)[N+]([O-])=O)O)NC(N1)=O)C(=O)OCCSC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5738 |
| logD: | 1.0125 |
| logSw: | -2.3809 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 106.368 |
| InChI Key: | MTZHBAGXNWIUHY-ZDUSSCGKSA-N |