2-{[(3-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-yl)methyl]sulfanyl}-1-(4-ethylpiperazin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[(3-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-yl)methyl]sulfanyl}-1-(4-ethylpiperazin-1-yl)ethan-1-one
2-{[(3-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-yl)methyl]sulfanyl}-1-(4-ethylpiperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | G813-0036 |
| Compound Name: | 2-{[(3-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-yl)methyl]sulfanyl}-1-(4-ethylpiperazin-1-yl)ethan-1-one |
| Molecular Weight: | 401.57 |
| Molecular Formula: | C21 H31 N5 O S |
| Smiles: | CCN1CCN(CC1)C(CSCc1nc2cccnc2n1C1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7396 |
| logD: | 2.6206 |
| logSw: | -2.6744 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.284 |
| InChI Key: | ZNODVCNJMXCYBS-UHFFFAOYSA-N |