N-tert-butyl-N-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-4-fluorobenzamide
Chemical Structure Depiction of
N-tert-butyl-N-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-4-fluorobenzamide
N-tert-butyl-N-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-4-fluorobenzamide
Compound characteristics
| Compound ID: | V023-0131 |
| Compound Name: | N-tert-butyl-N-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-4-fluorobenzamide |
| Molecular Weight: | 529.07 |
| Molecular Formula: | C28 H30 Cl F N2 O3 S |
| Smiles: | Cc1cc(ccc1[Cl])OCC1c2ccsc2CCN1C(CN(C(c1ccc(cc1)F)=O)C(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3651 |
| logD: | 6.3651 |
| logSw: | -6.3261 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.393 |
| InChI Key: | PGRRFMCKVBCFRR-DEOSSOPVSA-N |