methyl 4-({N'-(3-chloro-4-fluorophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}carbamoyl)benzoate
Chemical Structure Depiction of
methyl 4-({N'-(3-chloro-4-fluorophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}carbamoyl)benzoate
methyl 4-({N'-(3-chloro-4-fluorophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}carbamoyl)benzoate
Compound characteristics
| Compound ID: | L087-1033 |
| Compound Name: | methyl 4-({N'-(3-chloro-4-fluorophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}carbamoyl)benzoate |
| Molecular Weight: | 440.86 |
| Molecular Formula: | C22 H18 Cl F N4 O3 |
| Smiles: | COC(c1ccc(cc1)C(NC(/NCc1cccnc1)=N/c1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4798 |
| logD: | 3.4657 |
| logSw: | -3.9363 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.543 |
| InChI Key: | DIQKSZJEBKWREC-UHFFFAOYSA-N |