 |
| Ligand Name:
(4,7-dihydro-2H-1lambda~4~,2,3-benzothiadiazol-5-yl)(morpholin-4-yl)methanone |
| HET ID: V3J |
PubChem:
738376
|
| DrugBank: - |
ChEMBL: CHEMBL1341115 |
| Canonical SMILES: O=C(c1ccc2c(c1)nns2)N1CCOCC1 |
| Standard InChI: InChI=1S/C11H11N3O2S/c15-11(14-3-5-16-6-4-14)8-1-2-10-9(7-8)12-13-17-10/h1-2,7H,3-6H2 |
| Molecular Formula: C11H11N3O2S |
Mol. Weight: 249.28894 |
Heavy Atoms: 17 |
| Charge: 0 |
Is Chiral: False |
logP: 1.1016 |
| HBD: 0 |
HBA: 6 |
TPSA: 83.56 |
| #Bonds: 19 |
#Rotatable Bonds: 2 |
Shape Complexity: 0.36363637 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |