methyl 4-({N'-phenyl-N-[(pyridin-2-yl)methyl]carbamimidoyl}carbamoyl)benzoate
Chemical Structure Depiction of
methyl 4-({N'-phenyl-N-[(pyridin-2-yl)methyl]carbamimidoyl}carbamoyl)benzoate
methyl 4-({N'-phenyl-N-[(pyridin-2-yl)methyl]carbamimidoyl}carbamoyl)benzoate
Compound characteristics
| Compound ID: | L086-0021 |
| Compound Name: | methyl 4-({N'-phenyl-N-[(pyridin-2-yl)methyl]carbamimidoyl}carbamoyl)benzoate |
| Molecular Weight: | 388.42 |
| Molecular Formula: | C22 H20 N4 O3 |
| Smiles: | COC(c1ccc(cc1)C(NC(/NCc1ccccn1)=N/c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9015 |
| logD: | 2.4093 |
| logSw: | -3.4167 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.568 |
| InChI Key: | ANBXUDOJSAGHQE-UHFFFAOYSA-N |