methyl 4-({1-(4-chlorophenyl)-2-[4-(3-cyanobenzene-1-sulfonyl)piperazin-1-yl]ethoxy}methyl)benzoate
Chemical Structure Depiction of
methyl 4-({1-(4-chlorophenyl)-2-[4-(3-cyanobenzene-1-sulfonyl)piperazin-1-yl]ethoxy}methyl)benzoate
methyl 4-({1-(4-chlorophenyl)-2-[4-(3-cyanobenzene-1-sulfonyl)piperazin-1-yl]ethoxy}methyl)benzoate
Compound characteristics
| Compound ID: | V006-0622 |
| Compound Name: | methyl 4-({1-(4-chlorophenyl)-2-[4-(3-cyanobenzene-1-sulfonyl)piperazin-1-yl]ethoxy}methyl)benzoate |
| Molecular Weight: | 554.06 |
| Molecular Formula: | C28 H28 Cl N3 O5 S |
| Salt: | not_available |
| Smiles: | COC(c1ccc(COC(CN2CCN(CC2)S(c2cccc(C#N)c2)(=O)=O)c2ccc(cc2)[Cl])cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.441 |
| logD: | 4.4398 |
| logSw: | -4.8358 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 80.6 |
| InChI Key: | NCOVZXVRNMJQQF-MHZLTWQESA-N |