ethyl 6-[(3-chlorophenoxy)methyl]-1-ethyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-[(3-chlorophenoxy)methyl]-1-ethyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-[(3-chlorophenoxy)methyl]-1-ethyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V030-4869 |
| Compound Name: | ethyl 6-[(3-chlorophenoxy)methyl]-1-ethyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 459.89 |
| Molecular Formula: | C22 H22 Cl N3 O6 |
| Salt: | not_available |
| Smiles: | CCN1C(COc2cccc(c2)[Cl])=C(C(c2ccc(cc2)[N+]([O-])=O)NC1=O)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6342 |
| logD: | 4.6096 |
| logSw: | -5.0111 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.358 |
| InChI Key: | RVZJZVLEKCXDBS-HXUWFJFHSA-N |