methyl 4-{[1-(3-methoxyphenyl)-2-{4-[2-(methylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl}ethoxy]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[1-(3-methoxyphenyl)-2-{4-[2-(methylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl}ethoxy]methyl}benzoate
methyl 4-{[1-(3-methoxyphenyl)-2-{4-[2-(methylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl}ethoxy]methyl}benzoate
Compound characteristics
| Compound ID: | V008-1158 |
| Compound Name: | methyl 4-{[1-(3-methoxyphenyl)-2-{4-[2-(methylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl}ethoxy]methyl}benzoate |
| Molecular Weight: | 535.66 |
| Molecular Formula: | C29 H33 N3 O5 S |
| Salt: | not_available |
| Smiles: | COC(c1ccc(COC(CN2CCN(CC2)C(c2cccnc2SC)=O)c2cccc(c2)OC)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.782 |
| logD: | 3.7804 |
| logSw: | -3.8991 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 65.205 |
| InChI Key: | ZEHJYDUGOCSURJ-SANMLTNESA-N |