N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}but-2-ynamide
Chemical Structure Depiction of
N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}but-2-ynamide
N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}but-2-ynamide
Compound characteristics
| Compound ID: | T001-1955 |
| Compound Name: | N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}but-2-ynamide |
| Molecular Weight: | 333.86 |
| Molecular Formula: | C18 H24 Cl N3 O |
| Smiles: | CC#CC(NCCCN1CCN(CC1)c1cc(ccc1C)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2527 |
| logD: | 2.5653 |
| logSw: | -3.5358 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.4933 |
| InChI Key: | IAVJXIRNSKUHGQ-UHFFFAOYSA-N |