methyl 2-[(4-{3-[bis(4-chlorophenyl)methoxy]propyl}piperazine-1-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 2-[(4-{3-[bis(4-chlorophenyl)methoxy]propyl}piperazine-1-carbonyl)amino]benzoate
methyl 2-[(4-{3-[bis(4-chlorophenyl)methoxy]propyl}piperazine-1-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | V003-1961 |
| Compound Name: | methyl 2-[(4-{3-[bis(4-chlorophenyl)methoxy]propyl}piperazine-1-carbonyl)amino]benzoate |
| Molecular Weight: | 556.49 |
| Molecular Formula: | C29 H31 Cl2 N3 O4 |
| Salt: | not_available |
| Smiles: | COC(c1ccccc1NC(N1CCN(CCCOC(c2ccc(cc2)[Cl])c2ccc(cc2)[Cl])CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9476 |
| logD: | 5.2825 |
| logSw: | -6.2482 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.605 |
| InChI Key: | GQENHRNNGWUZCB-UHFFFAOYSA-N |