1-[4-(dibenzo[b,f][1,4]oxazepin-11-yl)piperazin-1-yl]prop-2-yn-1-one
Chemical Structure Depiction of
1-[4-(dibenzo[b,f][1,4]oxazepin-11-yl)piperazin-1-yl]prop-2-yn-1-one
1-[4-(dibenzo[b,f][1,4]oxazepin-11-yl)piperazin-1-yl]prop-2-yn-1-one
Compound characteristics
| Compound ID: | T001-0986 |
| Compound Name: | 1-[4-(dibenzo[b,f][1,4]oxazepin-11-yl)piperazin-1-yl]prop-2-yn-1-one |
| Molecular Weight: | 331.37 |
| Molecular Formula: | C20 H17 N3 O2 |
| Smiles: | C#CC(N1CCN(CC1)C1c2ccccc2Oc2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4835 |
| logD: | 2.1152 |
| logSw: | -2.9677 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 34.462 |
| InChI Key: | RUPXNAQSKKRGQK-UHFFFAOYSA-N |