benzyl 4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-1,4-diazepane-1-carboxylate
Chemical Structure Depiction of
benzyl 4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-1,4-diazepane-1-carboxylate
benzyl 4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-1,4-diazepane-1-carboxylate
Compound characteristics
| Compound ID: | V005-5051 |
| Compound Name: | benzyl 4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-1,4-diazepane-1-carboxylate |
| Molecular Weight: | 525.53 |
| Molecular Formula: | C28 H26 F3 N3 O4 |
| Salt: | not_available |
| Smiles: | COc1ccc2c(c1)C(=Nc1cc(ccc1O2)C(F)(F)F)N1CCCN(CC1)C(=O)OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.9704 |
| logD: | 4.3721 |
| logSw: | -5.6432 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.021 |
| InChI Key: | FLRGPQHKNNTVBN-UHFFFAOYSA-N |