methyl 4-({N'-(4-methylphenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl}carbamoyl)benzoate
Chemical Structure Depiction of
methyl 4-({N'-(4-methylphenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl}carbamoyl)benzoate
methyl 4-({N'-(4-methylphenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl}carbamoyl)benzoate
Compound characteristics
| Compound ID: | L086-0542 |
| Compound Name: | methyl 4-({N'-(4-methylphenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl}carbamoyl)benzoate |
| Molecular Weight: | 402.45 |
| Molecular Formula: | C23 H22 N4 O3 |
| Smiles: | Cc1ccc(cc1)/N=C(\NCc1ccccn1)NC(c1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4464 |
| logD: | 2.5536 |
| logSw: | -3.5167 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.568 |
| InChI Key: | GQANZIGVPBYOLC-UHFFFAOYSA-N |