methyl 4-{[1-(4-chlorophenyl)-2-{4-[(cyclohexylmethyl)carbamoyl]piperazin-1-yl}ethoxy]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[1-(4-chlorophenyl)-2-{4-[(cyclohexylmethyl)carbamoyl]piperazin-1-yl}ethoxy]methyl}benzoate
methyl 4-{[1-(4-chlorophenyl)-2-{4-[(cyclohexylmethyl)carbamoyl]piperazin-1-yl}ethoxy]methyl}benzoate
Compound characteristics
| Compound ID: | V002-0011 |
| Compound Name: | methyl 4-{[1-(4-chlorophenyl)-2-{4-[(cyclohexylmethyl)carbamoyl]piperazin-1-yl}ethoxy]methyl}benzoate |
| Molecular Weight: | 528.09 |
| Molecular Formula: | C29 H38 Cl N3 O4 |
| Salt: | not_available |
| Smiles: | COC(c1ccc(COC(CN2CCN(CC2)C(NCC2CCCCC2)=O)c2ccc(cc2)[Cl])cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3957 |
| logD: | 5.2466 |
| logSw: | -6.1761 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.817 |
| InChI Key: | IECOMCPQDUREMP-MHZLTWQESA-N |