methyl 4-{[1-(4-chlorophenyl)-2-{4-[2-(methylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl}ethoxy]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[1-(4-chlorophenyl)-2-{4-[2-(methylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl}ethoxy]methyl}benzoate
methyl 4-{[1-(4-chlorophenyl)-2-{4-[2-(methylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl}ethoxy]methyl}benzoate
Compound characteristics
| Compound ID: | V002-0243 |
| Compound Name: | methyl 4-{[1-(4-chlorophenyl)-2-{4-[2-(methylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl}ethoxy]methyl}benzoate |
| Molecular Weight: | 540.08 |
| Molecular Formula: | C28 H30 Cl N3 O4 S |
| Salt: | not_available |
| Smiles: | COC(c1ccc(COC(CN2CCN(CC2)C(c2cccnc2SC)=O)c2ccc(cc2)[Cl])cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2744 |
| logD: | 4.2717 |
| logSw: | -4.7074 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 57.661 |
| InChI Key: | YVILFXNJVIJGKD-VWLOTQADSA-N |