N-(2-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-ethyl-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-ethyl-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-ethyl-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V022-0895 |
| Compound Name: | N-(2-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-ethyl-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 506.62 |
| Molecular Formula: | C28 H30 N2 O5 S |
| Smiles: | CCN(CC(N1CCc2c(ccs2)C1COc1ccc(C)cc1C)=O)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3872 |
| logD: | 5.3872 |
| logSw: | -5.428 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.213 |
| InChI Key: | WEXWEJGIPNDRHE-QFIPXVFZSA-N |