N-[2-(4-chlorophenoxy)ethyl]-2-{[6-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[2-(4-chlorophenoxy)ethyl]-2-{[6-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}acetamide
N-[2-(4-chlorophenoxy)ethyl]-2-{[6-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 3448-4523 |
| Compound Name: | N-[2-(4-chlorophenoxy)ethyl]-2-{[6-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 540.06 |
| Molecular Formula: | C26 H22 Cl N3 O4 S2 |
| Smiles: | C1C2C=CC1C1C2C(N(C1=O)c1ccc2c(c1)sc(n2)SCC(NCCOc1ccc(cc1)[Cl])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1826 |
| logD: | 4.1826 |
| logSw: | -4.7156 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.265 |
| InChI Key: | ALMRPSKTNZHNDO-UHFFFAOYSA-N |