3-(4-benzylpiperidin-1-yl)-2-(4-methylpiperidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
Chemical Structure Depiction of
3-(4-benzylpiperidin-1-yl)-2-(4-methylpiperidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
3-(4-benzylpiperidin-1-yl)-2-(4-methylpiperidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
Compound characteristics
| Compound ID: | J030-0522 |
| Compound Name: | 3-(4-benzylpiperidin-1-yl)-2-(4-methylpiperidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one |
| Molecular Weight: | 545.7 |
| Molecular Formula: | C31 H35 N3 O4 S |
| Smiles: | CC1CCN(CC1)S(c1cc2C(Nc3ccccc3Oc2cc1N1CCC(CC1)Cc1ccccc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8777 |
| logD: | 6.8095 |
| logSw: | -5.718 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.931 |
| InChI Key: | HJFCOTPEHWJQHL-UHFFFAOYSA-N |