1-{4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-1,4-diazepan-1-yl}-3-methylbutan-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}-3-methylbutan-1-one
1-{4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-1,4-diazepan-1-yl}-3-methylbutan-1-one
Compound characteristics
| Compound ID: | V005-5071 |
| Compound Name: | 1-{4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-1,4-diazepan-1-yl}-3-methylbutan-1-one |
| Molecular Weight: | 475.51 |
| Molecular Formula: | C25 H28 F3 N3 O3 |
| Smiles: | CC(C)CC(N1CCCN(CC1)C1c2cc(ccc2Oc2ccc(cc2N=1)C(F)(F)F)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8439 |
| logD: | 3.2455 |
| logSw: | -4.6037 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.337 |
| InChI Key: | LQRGSAXVNAZREO-UHFFFAOYSA-N |