2-methoxy-11-[4-(2-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepine
Chemical Structure Depiction of
2-methoxy-11-[4-(2-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepine
2-methoxy-11-[4-(2-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepine
Compound characteristics
| Compound ID: | V021-6910 |
| Compound Name: | 2-methoxy-11-[4-(2-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepine |
| Molecular Weight: | 545.58 |
| Molecular Formula: | C27 H26 F3 N3 O4 S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1S(N1CCCN(CC1)C1c2cc(ccc2Oc2ccc(cc2N=1)C(F)(F)F)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2377 |
| logD: | 2.9982 |
| logSw: | -5.1744 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.655 |
| InChI Key: | PIKQGOJMJAWTRW-UHFFFAOYSA-N |