1-{4-[3-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazin-1-yl}-2-(thiophen-2-yl)ethan-1-one
Chemical Structure Depiction of
1-{4-[3-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazin-1-yl}-2-(thiophen-2-yl)ethan-1-one
1-{4-[3-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazin-1-yl}-2-(thiophen-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | V004-3789 |
| Compound Name: | 1-{4-[3-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazin-1-yl}-2-(thiophen-2-yl)ethan-1-one |
| Molecular Weight: | 501.53 |
| Molecular Formula: | C25 H22 F3 N3 O3 S |
| Smiles: | COc1ccc2C(=Nc3cc(ccc3Oc2c1)C(F)(F)F)N1CCN(CC1)C(Cc1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.396 |
| logD: | 3.8471 |
| logSw: | -4.4347 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.753 |
| InChI Key: | YQEKUIWTJNOHRH-UHFFFAOYSA-N |