ethyl 6-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8015-7973 |
| Compound Name: | ethyl 6-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 417.44 |
| Molecular Formula: | C18 H19 N5 O5 S |
| Smiles: | CCOC(C1C(c2cccc(c2)[N+]([O-])=O)NC(NC=1CSc1nccn1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9122 |
| logD: | 1.6973 |
| logSw: | -2.729 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.081 |
| InChI Key: | JJBLPZWZTWPQNH-OAHLLOKOSA-N |