N~1~-[2-(3,4-dimethoxyphenyl)ethyl]-N~2~-{1-[4-(4-fluorophenyl)piperazin-1-yl]-1-(thiophen-2-yl)propan-2-yl}ethanediamide
Chemical Structure Depiction of
N~1~-[2-(3,4-dimethoxyphenyl)ethyl]-N~2~-{1-[4-(4-fluorophenyl)piperazin-1-yl]-1-(thiophen-2-yl)propan-2-yl}ethanediamide
N~1~-[2-(3,4-dimethoxyphenyl)ethyl]-N~2~-{1-[4-(4-fluorophenyl)piperazin-1-yl]-1-(thiophen-2-yl)propan-2-yl}ethanediamide
Compound characteristics
| Compound ID: | C609-0318 |
| Compound Name: | N~1~-[2-(3,4-dimethoxyphenyl)ethyl]-N~2~-{1-[4-(4-fluorophenyl)piperazin-1-yl]-1-(thiophen-2-yl)propan-2-yl}ethanediamide |
| Molecular Weight: | 554.68 |
| Molecular Formula: | C29 H35 F N4 O4 S |
| Smiles: | CC(C(c1cccs1)N1CCN(CC1)c1ccc(cc1)F)NC(C(NCCc1ccc(c(c1)OC)OC)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1453 |
| logD: | 3.1308 |
| logSw: | -3.5055 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.906 |
| InChI Key: | IPOOTUXVYQYWMS-UHFFFAOYSA-N |