(4-{[(3-benzyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]methyl}phenyl)(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone--oxalic acid (1/1)
Chemical Structure Depiction of
(4-{[(3-benzyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]methyl}phenyl)(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone--oxalic acid (1/1)
(4-{[(3-benzyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]methyl}phenyl)(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone--oxalic acid (1/1)
Compound characteristics
| Compound ID: | C797-0981 |
| Compound Name: | (4-{[(3-benzyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]methyl}phenyl)(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone--oxalic acid (1/1) |
| Molecular Weight: | 590.65 |
| Molecular Formula: | C28 H28 N4 O3 S |
| Salt: | HOOCCOOH |
| Smiles: | C1CN(CCC12OCCO2)C(c1ccc(CSc2nc3ccncc3n2Cc2ccccc2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5384 |
| logD: | 3.5353 |
| logSw: | -3.3796 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.08 |
| InChI Key: | GDXCFYBEBLNUNE-UHFFFAOYSA-N |