methyl 4-{[1-(4-chlorophenyl)-2-(4-{[(2RS)-2-phenylcyclopropyl]carbamoyl}piperazin-1-yl)ethoxy]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[1-(4-chlorophenyl)-2-(4-{[(2RS)-2-phenylcyclopropyl]carbamoyl}piperazin-1-yl)ethoxy]methyl}benzoate
methyl 4-{[1-(4-chlorophenyl)-2-(4-{[(2RS)-2-phenylcyclopropyl]carbamoyl}piperazin-1-yl)ethoxy]methyl}benzoate
Compound characteristics
| Compound ID: | V006-2616 |
| Compound Name: | methyl 4-{[1-(4-chlorophenyl)-2-(4-{[(2RS)-2-phenylcyclopropyl]carbamoyl}piperazin-1-yl)ethoxy]methyl}benzoate |
| Molecular Weight: | 548.08 |
| Molecular Formula: | C31 H34 Cl N3 O4 |
| Salt: | not_available |
| Smiles: | COC(c1ccc(COC(CN2CCN(CC2)C(NC2C[C@H]2c2ccccc2)=O)c2ccc(cc2)[Cl])cc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4304 |
| logD: | 5.2812 |
| logSw: | -6.2239 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.799 |
| InChI Key: | GNRUMEPRVOYNCU-VSPYUBNUSA-N |