N-(2-{4-[(3-fluorophenoxy)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-[(3-fluorophenoxy)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-[(3-fluorophenoxy)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: | V012-3642 |
| Compound Name: | N-(2-{4-[(3-fluorophenoxy)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: | 552.62 |
| Molecular Formula: | C29 H29 F N2 O6 S |
| Smiles: | C1CC(CN(CC(N2CCc3c(ccs3)C2COc2cccc(c2)F)=O)C(c2ccc3c(c2)OCO3)=O)OC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0012 |
| logD: | 4.0012 |
| logSw: | -4.2016 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.785 |
| InChI Key: | MRXACDQFWFVBHX-UHFFFAOYSA-N |