N~1~-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-{1-[4-(4-fluorophenyl)piperazin-1-yl]-1-(thiophen-2-yl)propan-2-yl}ethanediamide
Chemical Structure Depiction of
N~1~-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-{1-[4-(4-fluorophenyl)piperazin-1-yl]-1-(thiophen-2-yl)propan-2-yl}ethanediamide
N~1~-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-{1-[4-(4-fluorophenyl)piperazin-1-yl]-1-(thiophen-2-yl)propan-2-yl}ethanediamide
Compound characteristics
| Compound ID: | C609-0324 |
| Compound Name: | N~1~-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-{1-[4-(4-fluorophenyl)piperazin-1-yl]-1-(thiophen-2-yl)propan-2-yl}ethanediamide |
| Molecular Weight: | 524.61 |
| Molecular Formula: | C27 H29 F N4 O4 S |
| Smiles: | CC(C(c1cccs1)N1CCN(CC1)c1ccc(cc1)F)NC(C(NCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6078 |
| logD: | 3.6003 |
| logSw: | -3.8313 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.919 |
| InChI Key: | NBHSWEVAEWFYBM-UHFFFAOYSA-N |