N-[3-(1,3-benzothiazol-2-yl)-6-(propan-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-4-nitrobenzamide
Chemical Structure Depiction of
N-[3-(1,3-benzothiazol-2-yl)-6-(propan-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-4-nitrobenzamide
N-[3-(1,3-benzothiazol-2-yl)-6-(propan-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | G856-5986 |
| Compound Name: | N-[3-(1,3-benzothiazol-2-yl)-6-(propan-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-4-nitrobenzamide |
| Molecular Weight: | 478.59 |
| Molecular Formula: | C24 H22 N4 O3 S2 |
| Smiles: | CC(C)N1CCc2c(c(NC(c3ccc(cc3)[N+]([O-])=O)=O)sc2C1)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.6043 |
| logD: | 5.203 |
| logSw: | -5.5461 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.672 |
| InChI Key: | OUANQNPUODYUTE-UHFFFAOYSA-N |