3-fluoro-N-(2-{4-[(3-methoxyphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]benzamide
Chemical Structure Depiction of
3-fluoro-N-(2-{4-[(3-methoxyphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]benzamide
3-fluoro-N-(2-{4-[(3-methoxyphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V022-0249 |
| Compound Name: | 3-fluoro-N-(2-{4-[(3-methoxyphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]benzamide |
| Molecular Weight: | 538.64 |
| Molecular Formula: | C29 H31 F N2 O5 S |
| Smiles: | COc1cccc(c1)OCC1c2ccsc2CCN1C(CN(CC1CCCO1)C(c1cccc(c1)F)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1401 |
| logD: | 4.1401 |
| logSw: | -4.2502 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.213 |
| InChI Key: | RGESLMWXJWLDMC-UHFFFAOYSA-N |