methyl 4-({N'-(3-chloro-4-methoxyphenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}carbamoyl)benzoate
Chemical Structure Depiction of
methyl 4-({N'-(3-chloro-4-methoxyphenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}carbamoyl)benzoate
methyl 4-({N'-(3-chloro-4-methoxyphenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}carbamoyl)benzoate
Compound characteristics
| Compound ID: | L087-0920 |
| Compound Name: | methyl 4-({N'-(3-chloro-4-methoxyphenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}carbamoyl)benzoate |
| Molecular Weight: | 452.9 |
| Molecular Formula: | C23 H21 Cl N4 O4 |
| Smiles: | COC(c1ccc(cc1)C(NC(/NCc1cccnc1)=N/c1ccc(c(c1)[Cl])OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2603 |
| logD: | 3.1713 |
| logSw: | -3.6876 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.174 |
| InChI Key: | HSWXBOPDTFLZQH-UHFFFAOYSA-N |