11-[4-(4-tert-butylbenzene-1-sulfonyl)piperazin-1-yl]-2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepine
Chemical Structure Depiction of
11-[4-(4-tert-butylbenzene-1-sulfonyl)piperazin-1-yl]-2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepine
11-[4-(4-tert-butylbenzene-1-sulfonyl)piperazin-1-yl]-2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepine
Compound characteristics
| Compound ID: | V005-4887 |
| Compound Name: | 11-[4-(4-tert-butylbenzene-1-sulfonyl)piperazin-1-yl]-2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepine |
| Molecular Weight: | 573.63 |
| Molecular Formula: | C29 H30 F3 N3 O4 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1ccc(cc1)S(N1CCN(CC1)C1c2cc(ccc2Oc2ccc(cc2N=1)C(F)(F)F)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6805 |
| logD: | 4.8679 |
| logSw: | -5.9304 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.325 |
| InChI Key: | RJQYXFOLBIVIOF-UHFFFAOYSA-N |