methyl 4-({2-[4-(2,1,3-benzoxadiazole-5-carbonyl)piperazin-1-yl]-1-(4-chlorophenyl)ethoxy}methyl)benzoate
Chemical Structure Depiction of
methyl 4-({2-[4-(2,1,3-benzoxadiazole-5-carbonyl)piperazin-1-yl]-1-(4-chlorophenyl)ethoxy}methyl)benzoate
methyl 4-({2-[4-(2,1,3-benzoxadiazole-5-carbonyl)piperazin-1-yl]-1-(4-chlorophenyl)ethoxy}methyl)benzoate
Compound characteristics
| Compound ID: | V003-2426 |
| Compound Name: | methyl 4-({2-[4-(2,1,3-benzoxadiazole-5-carbonyl)piperazin-1-yl]-1-(4-chlorophenyl)ethoxy}methyl)benzoate |
| Molecular Weight: | 535 |
| Molecular Formula: | C28 H27 Cl N4 O5 |
| Salt: | not_available |
| Smiles: | COC(c1ccc(COC(CN2CCN(CC2)C(c2ccc3c(c2)non3)=O)c2ccc(cc2)[Cl])cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.477 |
| logD: | 4.4743 |
| logSw: | -4.8224 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 83.801 |
| InChI Key: | JLLLAFKKEUNROB-SANMLTNESA-N |