N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-methylbenzene-1-sulfonyl)acetamide
Chemical Structure Depiction of
N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-methylbenzene-1-sulfonyl)acetamide
N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-methylbenzene-1-sulfonyl)acetamide
Compound characteristics
| Compound ID: | G856-7176 |
| Compound Name: | N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-methylbenzene-1-sulfonyl)acetamide |
| Molecular Weight: | 482.64 |
| Molecular Formula: | C24 H22 N2 O3 S3 |
| Smiles: | Cc1ccc(cc1)S(CC(Nc1c(c2CCCCc2s1)c1nc2ccccc2s1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5762 |
| logD: | 5.5719 |
| logSw: | -5.3994 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.316 |
| InChI Key: | PRBQDGSKDCGZCH-UHFFFAOYSA-N |