methyl 4-({4-[(2-chloro-4-fluorophenyl)methyl]piperazine-1-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 4-({4-[(2-chloro-4-fluorophenyl)methyl]piperazine-1-carbonyl}amino)benzoate
methyl 4-({4-[(2-chloro-4-fluorophenyl)methyl]piperazine-1-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | Y207-0792 |
| Compound Name: | methyl 4-({4-[(2-chloro-4-fluorophenyl)methyl]piperazine-1-carbonyl}amino)benzoate |
| Molecular Weight: | 405.86 |
| Molecular Formula: | C20 H21 Cl F N3 O3 |
| Smiles: | COC(c1ccc(cc1)NC(N1CCN(CC1)Cc1ccc(cc1[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7482 |
| logD: | 3.7055 |
| logSw: | -4.2777 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.422 |
| InChI Key: | WEGZZYKGZNMUQP-UHFFFAOYSA-N |