ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-({[2-(4-chlorophenyl)ethyl]amino}methyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-({[2-(4-chlorophenyl)ethyl]amino}methyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-({[2-(4-chlorophenyl)ethyl]amino}methyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8015-9350 |
| Compound Name: | ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-({[2-(4-chlorophenyl)ethyl]amino}methyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 457.91 |
| Molecular Formula: | C23 H24 Cl N3 O5 |
| Smiles: | CCOC(C1C(c2ccc3c(c2)OCO3)NC(NC=1CNCCc1ccc(cc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9232 |
| logD: | 2.9232 |
| logSw: | -3.685 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.775 |
| InChI Key: | UNBPZNCRXJCBKB-OAQYLSRUSA-N |