N-[4-(4-bromophenyl)-6-oxo-1,4,5,6-tetrahydropyrimidin-2-yl]-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-[4-(4-bromophenyl)-6-oxo-1,4,5,6-tetrahydropyrimidin-2-yl]-2H-1,3-benzodioxole-5-carboxamide
N-[4-(4-bromophenyl)-6-oxo-1,4,5,6-tetrahydropyrimidin-2-yl]-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | E600-0584 |
| Compound Name: | N-[4-(4-bromophenyl)-6-oxo-1,4,5,6-tetrahydropyrimidin-2-yl]-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 416.23 |
| Molecular Formula: | C18 H14 Br N3 O4 |
| Smiles: | C1C(c2ccc(cc2)[Br])N=C(NC1=O)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0674 |
| logD: | 3.0622 |
| logSw: | -3.3511 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.349 |
| InChI Key: | SHEMUQSDDVNUCC-ZDUSSCGKSA-N |