ethyl 6-[(3-chlorophenoxy)methyl]-1-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-[(3-chlorophenoxy)methyl]-1-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-[(3-chlorophenoxy)methyl]-1-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V005-5753 |
| Compound Name: | ethyl 6-[(3-chlorophenoxy)methyl]-1-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 445.86 |
| Molecular Formula: | C21 H20 Cl N3 O6 |
| Smiles: | CCOC(C1C(c2cccc(c2)[N+]([O-])=O)NC(N(C)C=1COc1cccc(c1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1031 |
| logD: | 4.0156 |
| logSw: | -4.5056 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.399 |
| InChI Key: | LLWNNMYJZKEHOA-LJQANCHMSA-N |