1-{4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl}but-2-yn-1-one
Chemical Structure Depiction of
1-{4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl}but-2-yn-1-one
1-{4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl}but-2-yn-1-one
Compound characteristics
| Compound ID: | T001-0761 |
| Compound Name: | 1-{4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl}but-2-yn-1-one |
| Molecular Weight: | 317.77 |
| Molecular Formula: | C16 H16 Cl N3 O2 |
| Smiles: | CC#CC(N1CCN(CC1)Cc1nc2cc(ccc2o1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5753 |
| logD: | 2.5753 |
| logSw: | -3.1083 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.919 |
| InChI Key: | OMGYACOMVMBUGU-UHFFFAOYSA-N |