N-(2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)pentanamide
Chemical Structure Depiction of
N-(2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)pentanamide
N-(2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)pentanamide
Compound characteristics
| Compound ID: | D336-3636 |
| Compound Name: | N-(2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)pentanamide |
| Molecular Weight: | 400.56 |
| Molecular Formula: | C21 H24 N2 O2 S2 |
| Smiles: | CCCCC(Nc1ccc2c(c1)sc(n2)SCCOc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7724 |
| logD: | 5.7724 |
| logSw: | -5.2447 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.615 |
| InChI Key: | ZKDVTLGQGQJRLM-UHFFFAOYSA-N |