methyl 4-({N'-(5-chloro-2-methoxyphenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl}carbamoyl)benzoate
Chemical Structure Depiction of
methyl 4-({N'-(5-chloro-2-methoxyphenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl}carbamoyl)benzoate
methyl 4-({N'-(5-chloro-2-methoxyphenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl}carbamoyl)benzoate
Compound characteristics
| Compound ID: | L086-0356 |
| Compound Name: | methyl 4-({N'-(5-chloro-2-methoxyphenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl}carbamoyl)benzoate |
| Molecular Weight: | 452.9 |
| Molecular Formula: | C23 H21 Cl N4 O4 |
| Smiles: | COC(c1ccc(cc1)C(NC(/NCc1ccccn1)=N/c1cc(ccc1OC)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4946 |
| logD: | 3.4222 |
| logSw: | -3.9258 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.501 |
| InChI Key: | IPJPHUOIKQTWRY-UHFFFAOYSA-N |