ethyl 6-({[2-(4-chlorophenyl)ethyl]amino}methyl)-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-({[2-(4-chlorophenyl)ethyl]amino}methyl)-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-({[2-(4-chlorophenyl)ethyl]amino}methyl)-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8016-0110 |
| Compound Name: | ethyl 6-({[2-(4-chlorophenyl)ethyl]amino}methyl)-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 458.9 |
| Molecular Formula: | C22 H23 Cl N4 O5 |
| Smiles: | CCOC(C1C(c2cccc(c2)[N+]([O-])=O)NC(NC=1CNCCc1ccc(cc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8348 |
| logD: | 2.8348 |
| logSw: | -3.6526 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 102.041 |
| InChI Key: | HOXPEGUSMMGBGG-HXUWFJFHSA-N |