2-cyanoethyl 6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
2-cyanoethyl 6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2-cyanoethyl 6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 2251-3108 |
| Compound Name: | 2-cyanoethyl 6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 330.3 |
| Molecular Formula: | C15 H14 N4 O5 |
| Smiles: | CC1=C(C(c2cccc(c2)[N+]([O-])=O)NC(N1)=O)C(=O)OCCC#N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.5728 |
| logD: | 0.4226 |
| logSw: | -2.2228 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.613 |
| InChI Key: | FDJWIZXHXCVGGH-ZDUSSCGKSA-N |