 |
| Ligand Name:
N-{6-[4-(6-BROMO-1,2-BENZISOTHIAZOL-3-YL)PHENOXY]HEXYL}-N-METHYL-2-PROPEN-1-AMINE |
| HET ID: R46 |
PubChem:
445991
|
| DrugBank: - |
ChEMBL: CHEMBL294809 |
| Canonical SMILES: C=CCN(CCCCCCOc1ccc(cc1)c1nsc2c1ccc(c2)Br)C |
| Standard InChI: InChI=1S/C23H27BrN2OS/c1-3-14-26(2)15-6-4-5-7-16-27-20-11-8-18(9-12-20)23-21-13-10-19(24)17-22(21)28-25-23/h3,8-13,17H,1,4-7,14-16H2,2H3 |
| Molecular Formula: C23H27BrN2OS |
Mol. Weight: 459.4423 |
Heavy Atoms: 28 |
| Charge: 0 |
Is Chiral: False |
logP: 6.7828 |
| HBD: 0 |
HBA: 4 |
TPSA: 53.6 |
| #Bonds: 30 |
#Rotatable Bonds: 11 |
Shape Complexity: 0.3478261 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |