11-[4-(4-chlorobenzene-1-sulfonyl)piperazin-1-yl]-2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepine
Chemical Structure Depiction of
11-[4-(4-chlorobenzene-1-sulfonyl)piperazin-1-yl]-2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepine
11-[4-(4-chlorobenzene-1-sulfonyl)piperazin-1-yl]-2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepine
Compound characteristics
| Compound ID: | V005-4875 |
| Compound Name: | 11-[4-(4-chlorobenzene-1-sulfonyl)piperazin-1-yl]-2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepine |
| Molecular Weight: | 551.97 |
| Molecular Formula: | C25 H21 Cl F3 N3 O4 S |
| Salt: | not_available |
| Smiles: | COc1ccc2c(c1)C(=Nc1cc(ccc1O2)C(F)(F)F)N1CCN(CC1)S(c1ccc(cc1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4807 |
| logD: | 3.6681 |
| logSw: | -6.1214 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.325 |
| InChI Key: | RXUCBAFHWZUSSX-UHFFFAOYSA-N |