2-(3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1H-indol-1-yl)-1-(4-methylpiperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-(3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1H-indol-1-yl)-1-(4-methylpiperidin-1-yl)ethan-1-one
2-(3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1H-indol-1-yl)-1-(4-methylpiperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | E587-0564 |
| Compound Name: | 2-(3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1H-indol-1-yl)-1-(4-methylpiperidin-1-yl)ethan-1-one |
| Molecular Weight: | 406.59 |
| Molecular Formula: | C25 H30 N2 O S |
| Smiles: | CC1CCN(CC1)C(Cn1cc(c2ccccc12)SCc1cc(C)ccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.694 |
| logD: | 5.694 |
| logSw: | -5.4898 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 18.0915 |
| InChI Key: | UCOCGUSWVMHHEY-UHFFFAOYSA-N |