3-[4-(4-fluorophenyl)piperazin-1-yl]-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
Chemical Structure Depiction of
3-[4-(4-fluorophenyl)piperazin-1-yl]-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
3-[4-(4-fluorophenyl)piperazin-1-yl]-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
Compound characteristics
| Compound ID: | J030-0438 |
| Compound Name: | 3-[4-(4-fluorophenyl)piperazin-1-yl]-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one |
| Molecular Weight: | 522.6 |
| Molecular Formula: | C27 H27 F N4 O4 S |
| Smiles: | C1CCN(C1)S(c1cc2C(Nc3ccccc3Oc2cc1N1CCN(CC1)c1ccc(cc1)F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8882 |
| logD: | 4.82 |
| logSw: | -4.7718 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.829 |
| InChI Key: | BFTACVIJVWPCNX-UHFFFAOYSA-N |