N-[2-(4-chlorophenoxy)ethyl]-2-{[6-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[2-(4-chlorophenoxy)ethyl]-2-{[6-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}acetamide
N-[2-(4-chlorophenoxy)ethyl]-2-{[6-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 3448-3250 |
| Compound Name: | N-[2-(4-chlorophenoxy)ethyl]-2-{[6-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 569.01 |
| Molecular Formula: | C25 H17 Cl N4 O6 S2 |
| Smiles: | C(COc1ccc(cc1)[Cl])NC(CSc1nc2ccc(cc2s1)N1C(c2ccc(cc2C1=O)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2678 |
| logD: | 5.2678 |
| logSw: | -5.9157 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.802 |
| InChI Key: | RLAVKXTYMVUHFC-UHFFFAOYSA-N |