1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-({[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)ethan-1-one
Chemical Structure Depiction of
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-({[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)ethan-1-one
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-({[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | K788-7220 |
| Compound Name: | 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-({[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)ethan-1-one |
| Molecular Weight: | 495.6 |
| Molecular Formula: | C26 H29 N3 O5 S |
| Smiles: | Cc1c(CSCC(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)nc(c2ccc(cc2)OC)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.8198 |
| logD: | 3.6897 |
| logSw: | -4.0383 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.681 |
| InChI Key: | RPKBPOZGABBHAS-UHFFFAOYSA-N |