methyl 4-({N'-(4-fluorophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}carbamoyl)benzoate
Chemical Structure Depiction of
methyl 4-({N'-(4-fluorophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}carbamoyl)benzoate
methyl 4-({N'-(4-fluorophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}carbamoyl)benzoate
Compound characteristics
Compound ID: | L087-1219 |
Compound Name: | methyl 4-({N'-(4-fluorophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}carbamoyl)benzoate |
Molecular Weight: | 406.42 |
Molecular Formula: | C22 H19 F N4 O3 |
Smiles: | COC(c1ccc(cc1)C(NC(/NCc1cccnc1)=N/c1ccc(cc1)F)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.7342 |
logD: | 2.6563 |
logSw: | -2.8836 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 72.543 |
InChI Key: | SAXQTOJLIVIYFY-UHFFFAOYSA-N |