N-(butan-2-yl)-N-(2-{4-[(2-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(butan-2-yl)-N-(2-{4-[(2-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide
N-(butan-2-yl)-N-(2-{4-[(2-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V022-3633 |
| Compound Name: | N-(butan-2-yl)-N-(2-{4-[(2-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 520.65 |
| Molecular Formula: | C29 H32 N2 O5 S |
| Smiles: | CCC(C)N(CC(N1CCc2c(ccs2)C1COc1ccccc1C)=O)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8813 |
| logD: | 5.8813 |
| logSw: | -5.5819 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.817 |
| InChI Key: | XGBHGNQOHSXQQC-UHFFFAOYSA-N |