N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-4-nitrobenzamide
Chemical Structure Depiction of
N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-4-nitrobenzamide
N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | G856-6107 |
| Compound Name: | N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-4-nitrobenzamide |
| Molecular Weight: | 478.55 |
| Molecular Formula: | C23 H18 N4 O4 S2 |
| Smiles: | CC(N1CCc2c(c(NC(c3ccc(cc3)[N+]([O-])=O)=O)sc2C1)c1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4082 |
| logD: | 4.259 |
| logSw: | -4.4202 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.004 |
| InChI Key: | LOTSZZDIFWHIEC-UHFFFAOYSA-N |