N-(3-methylbutyl)-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-(3-methylbutyl)-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-(3-methylbutyl)-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: | V022-0689 |
| Compound Name: | N-(3-methylbutyl)-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: | 562.73 |
| Molecular Formula: | C32 H38 N2 O5 S |
| Smiles: | CC(C)CCN(CC(N1CCc2c(ccs2)C1COc1ccc(cc1)C(C)C)=O)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.7655 |
| logD: | 6.7655 |
| logSw: | -5.7067 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.38 |
| InChI Key: | KGQJQEJLYFOVJS-MHZLTWQESA-N |