1-{4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-1,4-diazepan-1-yl}-2-(thiophen-2-yl)ethan-1-one
Chemical Structure Depiction of
1-{4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-1,4-diazepan-1-yl}-2-(thiophen-2-yl)ethan-1-one
1-{4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-1,4-diazepan-1-yl}-2-(thiophen-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | V005-5038 |
| Compound Name: | 1-{4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-1,4-diazepan-1-yl}-2-(thiophen-2-yl)ethan-1-one |
| Molecular Weight: | 515.55 |
| Molecular Formula: | C26 H24 F3 N3 O3 S |
| Salt: | not_available |
| Smiles: | COc1ccc2c(c1)C(=Nc1cc(ccc1O2)C(F)(F)F)N1CCCN(CC1)C(Cc1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7133 |
| logD: | 3.115 |
| logSw: | -4.5261 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.084 |
| InChI Key: | SGTGGPSSABYZGD-UHFFFAOYSA-N |