N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide
Compound characteristics
| Compound ID: | J077-1137 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide |
| Molecular Weight: | 461.49 |
| Molecular Formula: | C26 H24 F N3 O4 |
| Smiles: | C1CN(Cc2cccc(c2)F)C(N(C1)c1cccc(c1)C(NCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0383 |
| logD: | 4.0383 |
| logSw: | -4.1221 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.326 |
| InChI Key: | OUKZIMKHTMQRMC-UHFFFAOYSA-N |