4-[2-methyl-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-N-(prop-2-en-1-yl)piperazine-1-carboxamide
Chemical Structure Depiction of
4-[2-methyl-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-N-(prop-2-en-1-yl)piperazine-1-carboxamide
4-[2-methyl-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-N-(prop-2-en-1-yl)piperazine-1-carboxamide
Compound characteristics
| Compound ID: | V004-3762 |
| Compound Name: | 4-[2-methyl-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-N-(prop-2-en-1-yl)piperazine-1-carboxamide |
| Molecular Weight: | 444.46 |
| Molecular Formula: | C23 H23 F3 N4 O2 |
| Salt: | not_available |
| Smiles: | Cc1ccc2c(c1)C(=Nc1cc(ccc1O2)C(F)(F)F)N1CCN(CC1)C(NCC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9172 |
| logD: | 3.2186 |
| logSw: | -4.0788 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.974 |
| InChI Key: | SBWCYEIKWUNZCP-UHFFFAOYSA-N |