methyl 4-({N'-(3-chloro-4-fluorophenyl)-N-[2-(morpholin-4-yl)ethyl]carbamimidoyl}carbamoyl)benzoate
Chemical Structure Depiction of
methyl 4-({N'-(3-chloro-4-fluorophenyl)-N-[2-(morpholin-4-yl)ethyl]carbamimidoyl}carbamoyl)benzoate
methyl 4-({N'-(3-chloro-4-fluorophenyl)-N-[2-(morpholin-4-yl)ethyl]carbamimidoyl}carbamoyl)benzoate
Compound characteristics
| Compound ID: | L089-0996 |
| Compound Name: | methyl 4-({N'-(3-chloro-4-fluorophenyl)-N-[2-(morpholin-4-yl)ethyl]carbamimidoyl}carbamoyl)benzoate |
| Molecular Weight: | 462.91 |
| Molecular Formula: | C22 H24 Cl F N4 O4 |
| Smiles: | COC(c1ccc(cc1)C(NC(/NCCN1CCOCC1)=N/c1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0817 |
| logD: | 1.9371 |
| logSw: | -3.6503 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.758 |
| InChI Key: | JHJNGTDKRMNMLB-UHFFFAOYSA-N |