{4-[3-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-1,4-diazepan-1-yl}(phenyl)methanone
Chemical Structure Depiction of
{4-[3-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-1,4-diazepan-1-yl}(phenyl)methanone
{4-[3-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-1,4-diazepan-1-yl}(phenyl)methanone
Compound characteristics
| Compound ID: | V004-4899 |
| Compound Name: | {4-[3-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-1,4-diazepan-1-yl}(phenyl)methanone |
| Molecular Weight: | 495.5 |
| Molecular Formula: | C27 H24 F3 N3 O3 |
| Salt: | not_available |
| Smiles: | COc1ccc2C(=Nc3cc(ccc3Oc2c1)C(F)(F)F)N1CCCN(CC1)C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7286 |
| logD: | 3.8338 |
| logSw: | -4.5807 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.593 |
| InChI Key: | KQPGCJVEODFRHU-UHFFFAOYSA-N |