N-[(furan-2-yl)methyl]-N-{2-oxo-2-[4-{[4-(propan-2-yl)phenoxy]methyl}-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-N-{2-oxo-2-[4-{[4-(propan-2-yl)phenoxy]methyl}-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethyl}-2H-1,3-benzodioxole-5-carboxamide
N-[(furan-2-yl)methyl]-N-{2-oxo-2-[4-{[4-(propan-2-yl)phenoxy]methyl}-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V002-2588 |
| Compound Name: | N-[(furan-2-yl)methyl]-N-{2-oxo-2-[4-{[4-(propan-2-yl)phenoxy]methyl}-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 572.68 |
| Molecular Formula: | C32 H32 N2 O6 S |
| Smiles: | CC(C)c1ccc(cc1)OCC1c2ccsc2CCN1C(CN(Cc1ccco1)C(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0411 |
| logD: | 6.0411 |
| logSw: | -5.5778 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.879 |
| InChI Key: | WQXUXIGENSATGA-MHZLTWQESA-N |