N-(4-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-4-fluorobenzamide
Chemical Structure Depiction of
N-(4-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-4-fluorobenzamide
N-(4-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-4-fluorobenzamide
Compound characteristics
| Compound ID: | V020-3387 |
| Compound Name: | N-(4-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-4-fluorobenzamide |
| Molecular Weight: | 447.47 |
| Molecular Formula: | C25 H22 F N3 O4 |
| Smiles: | C1CN(Cc2ccc3c(c2)OCO3)C(N(C1)c1ccc(cc1)NC(c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1483 |
| logD: | 4.1473 |
| logSw: | -4.2522 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.004 |
| InChI Key: | MCBNFKZWUHUOMG-UHFFFAOYSA-N |