2-(methylsulfanyl)ethyl 6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
2-(methylsulfanyl)ethyl 6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2-(methylsulfanyl)ethyl 6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 3404-5434 |
| Compound Name: | 2-(methylsulfanyl)ethyl 6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 351.38 |
| Molecular Formula: | C15 H17 N3 O5 S |
| Smiles: | CC1=C(C(c2cccc(c2)[N+]([O-])=O)NC(N1)=O)C(=O)OCCSC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5807 |
| logD: | 1.4305 |
| logSw: | -2.5855 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.121 |
| InChI Key: | BQZKWQTYBUIYCJ-ZDUSSCGKSA-N |