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| Ligand Name: N-(1-{[(5,7-dichloro-2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]acetyl}piperidin-4-yl)ethenesulfonamide |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB109 |
PubChem:
71815892
|
| Synonym(s):
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| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: CC(O1)(C)Oc(c12)c(Cl)cc(Cl)c2OCC(=O)N3CCC(CC3)NS(=O)(=O)C=C |
| Standard InChI: InChI=1S/C18H22Cl2N2O6S/c1-4-29(24,25)21-11-5-7-22(8-6-11)14(23)10-26-15-12(19)9-13(20)16-17(15)28-18(2,3)27-16/h4,9,11,21H,1,5-8,10H2,2-3H3 |
| Molecular Formula: C18H22Cl2N2O6S |
Mol. Weight: 464.05756 |
logP: 2.9334 |
| HBD: 1 | HBA: 6 |
| #Rotatable Bonds: 6 | TPSA: 94.17 |