3,3-dimethyl-1-{4-[2-methyl-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazin-1-yl}butan-1-one
Chemical Structure Depiction of
3,3-dimethyl-1-{4-[2-methyl-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazin-1-yl}butan-1-one
3,3-dimethyl-1-{4-[2-methyl-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazin-1-yl}butan-1-one
Compound characteristics
| Compound ID: | V004-3819 |
| Compound Name: | 3,3-dimethyl-1-{4-[2-methyl-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazin-1-yl}butan-1-one |
| Molecular Weight: | 459.51 |
| Molecular Formula: | C25 H28 F3 N3 O2 |
| Salt: | not_available |
| Smiles: | Cc1ccc2c(c1)C(=Nc1cc(ccc1O2)C(F)(F)F)N1CCN(CC1)C(CC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3823 |
| logD: | 4.6837 |
| logSw: | -5.5096 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 34.462 |
| InChI Key: | NGUJFSDXQKKDRN-UHFFFAOYSA-N |