methyl 2-{[1-(2H-1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)propan-2-yl]carbamamido}benzoate
Chemical Structure Depiction of
methyl 2-{[1-(2H-1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)propan-2-yl]carbamamido}benzoate
methyl 2-{[1-(2H-1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)propan-2-yl]carbamamido}benzoate
Compound characteristics
Compound ID: | F107-1149 |
Compound Name: | methyl 2-{[1-(2H-1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)propan-2-yl]carbamamido}benzoate |
Molecular Weight: | 450.47 |
Molecular Formula: | C25 H23 F N2 O5 |
Smiles: | COC(c1ccccc1NC(NC(Cc1ccc(cc1)F)Cc1ccc2c(c1)OCO2)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.987 |
logD: | 4.9829 |
logSw: | -4.681 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 71.092 |
InChI Key: | ITMBBXOIIQUVOF-IBGZPJMESA-N |