N-(4-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-3-methylbenzamide
Chemical Structure Depiction of
N-(4-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-3-methylbenzamide
N-(4-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-3-methylbenzamide
Compound characteristics
| Compound ID: | V020-3415 |
| Compound Name: | N-(4-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-3-methylbenzamide |
| Molecular Weight: | 443.5 |
| Molecular Formula: | C26 H25 N3 O4 |
| Smiles: | Cc1cccc(c1)C(Nc1ccc(cc1)N1CCCN(Cc2ccc3c(c2)OCO3)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4903 |
| logD: | 4.4899 |
| logSw: | -4.2854 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.004 |
| InChI Key: | KZIIOSMLWGLDMJ-UHFFFAOYSA-N |