ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-[(3-chloro-4-methylanilino)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-[(3-chloro-4-methylanilino)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-[(3-chloro-4-methylanilino)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8015-7933 |
| Compound Name: | ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-[(3-chloro-4-methylanilino)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 443.89 |
| Molecular Formula: | C22 H22 Cl N3 O5 |
| Smiles: | CCOC(C1C(c2ccc3c(c2)OCO3)NC(NC=1CNc1ccc(C)c(c1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3433 |
| logD: | 4.0639 |
| logSw: | -4.6121 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.402 |
| InChI Key: | QGBIPJSKHPRBEM-HXUWFJFHSA-N |