N-{2-[(2-phenoxyethyl)sulfanyl]-1,3-benzothiazol-6-yl}butanamide
Chemical Structure Depiction of
N-{2-[(2-phenoxyethyl)sulfanyl]-1,3-benzothiazol-6-yl}butanamide
N-{2-[(2-phenoxyethyl)sulfanyl]-1,3-benzothiazol-6-yl}butanamide
Compound characteristics
| Compound ID: | D336-3563 |
| Compound Name: | N-{2-[(2-phenoxyethyl)sulfanyl]-1,3-benzothiazol-6-yl}butanamide |
| Molecular Weight: | 372.51 |
| Molecular Formula: | C19 H20 N2 O2 S2 |
| Smiles: | CCCC(Nc1ccc2c(c1)sc(n2)SCCOc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9871 |
| logD: | 4.9871 |
| logSw: | -4.5657 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.615 |
| InChI Key: | SJJBVIRFBJJRBL-UHFFFAOYSA-N |