methyl 2-(3-{3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamido)benzoate
Chemical Structure Depiction of
methyl 2-(3-{3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamido)benzoate
methyl 2-(3-{3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamido)benzoate
Compound characteristics
| Compound ID: | J077-1134 |
| Compound Name: | methyl 2-(3-{3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamido)benzoate |
| Molecular Weight: | 461.49 |
| Molecular Formula: | C26 H24 F N3 O4 |
| Smiles: | COC(c1ccccc1NC(c1cccc(c1)N1CCCN(Cc2cccc(c2)F)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3821 |
| logD: | 4.2798 |
| logSw: | -4.313 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.364 |
| InChI Key: | CLUQOTNMOUTLBC-UHFFFAOYSA-N |