N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide
Compound characteristics
| Compound ID: | J076-0604 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide |
| Molecular Weight: | 461.49 |
| Molecular Formula: | C26 H24 F N3 O4 |
| Smiles: | C1CN(Cc2ccc(cc2)F)C(N(C1)c1ccc(cc1)C(NCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8561 |
| logD: | 3.8561 |
| logSw: | -4.0695 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.326 |
| InChI Key: | QVVZQRQXPHZRQT-UHFFFAOYSA-N |