N-(2-{4-[(4-chlorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-3-fluoro-N-[(oxolan-2-yl)methyl]benzamide
Chemical Structure Depiction of
N-(2-{4-[(4-chlorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-3-fluoro-N-[(oxolan-2-yl)methyl]benzamide
N-(2-{4-[(4-chlorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-3-fluoro-N-[(oxolan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V023-5932 |
| Compound Name: | N-(2-{4-[(4-chlorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-3-fluoro-N-[(oxolan-2-yl)methyl]benzamide |
| Molecular Weight: | 543.06 |
| Molecular Formula: | C28 H28 Cl F N2 O4 S |
| Smiles: | C1CC(CN(CC(N2CCc3c(ccs3)C2COc2ccc(cc2)[Cl])=O)C(c2cccc(c2)F)=O)OC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6872 |
| logD: | 4.6872 |
| logSw: | -4.9388 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.669 |
| InChI Key: | BRCIVDVFMHHEBV-UHFFFAOYSA-N |