N-(2-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-(2-methylbutyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(2-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-(2-methylbutyl)-2H-1,3-benzodioxole-5-carboxamide
N-(2-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-(2-methylbutyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V022-9670 |
| Compound Name: | N-(2-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-(2-methylbutyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 548.7 |
| Molecular Formula: | C31 H36 N2 O5 S |
| Smiles: | CCC(C)CN(CC(N1CCc2c(ccs2)C1COc1ccc(C)cc1C)=O)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.845 |
| logD: | 6.845 |
| logSw: | -5.656 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.488 |
| InChI Key: | IGVQHLTZDHFNSC-UHFFFAOYSA-N |