(4-{2-(4-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethyl}piperazin-1-yl)[2-(methylsulfanyl)pyridin-3-yl]methanone
Chemical Structure Depiction of
(4-{2-(4-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethyl}piperazin-1-yl)[2-(methylsulfanyl)pyridin-3-yl]methanone
(4-{2-(4-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethyl}piperazin-1-yl)[2-(methylsulfanyl)pyridin-3-yl]methanone
Compound characteristics
| Compound ID: | V002-0233 |
| Compound Name: | (4-{2-(4-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethyl}piperazin-1-yl)[2-(methylsulfanyl)pyridin-3-yl]methanone |
| Molecular Weight: | 512.07 |
| Molecular Formula: | C27 H30 Cl N3 O3 S |
| Salt: | not_available |
| Smiles: | COc1cccc(COC(CN2CCN(CC2)C(c2cccnc2SC)=O)c2ccc(cc2)[Cl])c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.289 |
| logD: | 4.2862 |
| logSw: | -4.6897 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 44.031 |
| InChI Key: | VLAGUWOXEUXKOF-VWLOTQADSA-N |