N-(2-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]-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-[(oxolan-2-yl)methyl]-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-[(oxolan-2-yl)methyl]-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V007-1331 |
| Compound Name: | N-(2-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 562.69 |
| Molecular Formula: | C31 H34 N2 O6 S |
| Smiles: | Cc1ccc(c(C)c1)OCC1c2ccsc2CCN1C(CN(CC1CCCO1)C(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1412 |
| logD: | 5.1412 |
| logSw: | -5.053 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.871 |
| InChI Key: | BDUSQMPUYSXNJG-UHFFFAOYSA-N |