3-(4-benzylpiperidin-1-yl)-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
Chemical Structure Depiction of
3-(4-benzylpiperidin-1-yl)-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
3-(4-benzylpiperidin-1-yl)-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
Compound characteristics
| Compound ID: | J030-0424 |
| Compound Name: | 3-(4-benzylpiperidin-1-yl)-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one |
| Molecular Weight: | 517.65 |
| Molecular Formula: | C29 H31 N3 O4 S |
| Smiles: | C1CCN(C1)S(c1cc2C(Nc3ccccc3Oc2cc1N1CCC(CC1)Cc1ccccc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0732 |
| logD: | 6.005 |
| logSw: | -6.0064 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.297 |
| InChI Key: | CQXSOUFCNCSGKO-UHFFFAOYSA-N |