N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-5-nitrothiophene-2-carboxamide
Chemical Structure Depiction of
N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-5-nitrothiophene-2-carboxamide
N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-5-nitrothiophene-2-carboxamide
Compound characteristics
| Compound ID: | G856-6120 |
| Compound Name: | N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-5-nitrothiophene-2-carboxamide |
| Molecular Weight: | 484.57 |
| Molecular Formula: | C21 H16 N4 O4 S3 |
| Smiles: | CC(N1CCc2c(c(NC(c3ccc([N+]([O-])=O)s3)=O)sc2C1)c1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6421 |
| logD: | 4.4085 |
| logSw: | -4.5051 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.374 |
| InChI Key: | NXERSQQYHCFIOJ-UHFFFAOYSA-N |