N-(2-{4-[(4-methylphenoxy)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-[(4-methylphenoxy)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-[(4-methylphenoxy)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: | V023-6486 |
| Compound Name: | N-(2-{4-[(4-methylphenoxy)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: | 548.66 |
| Molecular Formula: | C30 H32 N2 O6 S |
| Smiles: | Cc1ccc(cc1)OCC1c2ccsc2CCN1C(CN(CC1CCCO1)C(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3156 |
| logD: | 4.3156 |
| logSw: | -4.2703 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.785 |
| InChI Key: | YATHRJNMDCRIRS-UHFFFAOYSA-N |