{4-[(2-{[(3-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)methyl]phenyl}(pyrrolidin-1-yl)methanone--oxalic acid (1/1)
Chemical Structure Depiction of
{4-[(2-{[(3-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)methyl]phenyl}(pyrrolidin-1-yl)methanone--oxalic acid (1/1)
{4-[(2-{[(3-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)methyl]phenyl}(pyrrolidin-1-yl)methanone--oxalic acid (1/1)
Compound characteristics
| Compound ID: | E642-1095 |
| Compound Name: | {4-[(2-{[(3-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)methyl]phenyl}(pyrrolidin-1-yl)methanone--oxalic acid (1/1) |
| Molecular Weight: | 536.58 |
| Molecular Formula: | C25 H23 F N4 O S |
| Salt: | HOOCCOOH |
| Smiles: | C1CCN(C1)C(c1ccc(Cn2c(nc3cccnc23)SCc2cccc(c2)F)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5528 |
| logD: | 4.552 |
| logSw: | -4.5641 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.398 |
| InChI Key: | XGMTZMDCEDVMKP-UHFFFAOYSA-N |