N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}but-2-ynamide
Chemical Structure Depiction of
N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}but-2-ynamide
N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}but-2-ynamide
Compound characteristics
| Compound ID: | T001-1736 |
| Compound Name: | N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}but-2-ynamide |
| Molecular Weight: | 319.83 |
| Molecular Formula: | C17 H22 Cl N3 O |
| Smiles: | CC#CC(NCCCN1CCN(CC1)c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5537 |
| logD: | 2.3125 |
| logSw: | -3.5157 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.794 |
| InChI Key: | HHDWOUYJTHPDKF-UHFFFAOYSA-N |