N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-phenylprop-2-enamide
Chemical Structure Depiction of
N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-phenylprop-2-enamide
N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-phenylprop-2-enamide
Compound characteristics
| Compound ID: | G856-6118 |
| Compound Name: | N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-phenylprop-2-enamide |
| Molecular Weight: | 459.59 |
| Molecular Formula: | C25 H21 N3 O2 S2 |
| Smiles: | CC(N1CCc2c(c(NC(/C=C/c3ccccc3)=O)sc2C1)c1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2714 |
| logD: | 5.2672 |
| logSw: | -5.2414 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.409 |
| InChI Key: | IDQVCNQWQUAFPC-UHFFFAOYSA-N |