1-{4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazin-1-yl}-2-phenoxyethan-1-one
Chemical Structure Depiction of
1-{4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazin-1-yl}-2-phenoxyethan-1-one
1-{4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazin-1-yl}-2-phenoxyethan-1-one
Compound characteristics
| Compound ID: | V005-4804 |
| Compound Name: | 1-{4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazin-1-yl}-2-phenoxyethan-1-one |
| Molecular Weight: | 511.5 |
| Molecular Formula: | C27 H24 F3 N3 O4 |
| Salt: | not_available |
| Smiles: | COc1ccc2c(c1)C(=Nc1cc(ccc1O2)C(F)(F)F)N1CCN(CC1)C(COc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3672 |
| logD: | 3.1817 |
| logSw: | -4.4799 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.234 |
| InChI Key: | BUMZWSGGYYUKHP-UHFFFAOYSA-N |