N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-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]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Compound characteristics
| Compound ID: | G786-0351 |
| Compound Name: | N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide |
| Molecular Weight: | 491.59 |
| Molecular Formula: | C25 H21 N3 O4 S2 |
| Smiles: | CC(N1CCc2c(c(NC(c3ccc4c(c3)OCCO4)=O)sc2C1)c1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5444 |
| logD: | 3.5299 |
| logSw: | -4.0444 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.446 |
| InChI Key: | IHIMOQLOVYYIJD-UHFFFAOYSA-N |