N-(2H-1,3-benzodioxol-5-yl)-4-{3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-4-{3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide
N-(2H-1,3-benzodioxol-5-yl)-4-{3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide
Compound characteristics
| Compound ID: | J076-0466 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-4-{3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide |
| Molecular Weight: | 447.47 |
| Molecular Formula: | C25 H22 F N3 O4 |
| Smiles: | C1CN(Cc2ccccc2F)C(N(C1)c1ccc(cc1)C(Nc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5074 |
| logD: | 4.5052 |
| logSw: | -4.3833 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.004 |
| InChI Key: | IGUCGRQAMFQRNC-UHFFFAOYSA-N |