(4-{[(3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]methyl}phenyl)(pyrrolidin-1-yl)methanone--oxalic acid (1/1)
Chemical Structure Depiction of
(4-{[(3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]methyl}phenyl)(pyrrolidin-1-yl)methanone--oxalic acid (1/1)
(4-{[(3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]methyl}phenyl)(pyrrolidin-1-yl)methanone--oxalic acid (1/1)
Compound characteristics
| Compound ID: | E642-0124 |
| Compound Name: | (4-{[(3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]methyl}phenyl)(pyrrolidin-1-yl)methanone--oxalic acid (1/1) |
| Molecular Weight: | 518.59 |
| Molecular Formula: | C25 H24 N4 O S |
| Salt: | HOOCCOOH |
| Smiles: | C1CCN(C1)C(c1ccc(CSc2nc3cccnc3n2Cc2ccccc2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1531 |
| logD: | 4.1523 |
| logSw: | -4.2835 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.398 |
| InChI Key: | VRXPDKJFKLMNTI-UHFFFAOYSA-N |