1-(2,3-dimethyl-1H-indol-1-yl)-2-[(4-hydroxy-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-2-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(2,3-dimethyl-1H-indol-1-yl)-2-[(4-hydroxy-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-2-yl)sulfanyl]ethan-1-one
1-(2,3-dimethyl-1H-indol-1-yl)-2-[(4-hydroxy-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-2-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 5594-2218 |
| Compound Name: | 1-(2,3-dimethyl-1H-indol-1-yl)-2-[(4-hydroxy-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-2-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 449.59 |
| Molecular Formula: | C24 H23 N3 O2 S2 |
| Smiles: | Cc1ccc(cc1)SCc1cc(nc(n1)SCC(n1c(C)c(C)c2ccccc12)=O)O |
| Stereo: | ACHIRAL |
| logP: | 5.3297 |
| logD: | 5.0265 |
| logSw: | -5.2506 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.627 |
| InChI Key: | ZGTRLEAMOWVGOX-UHFFFAOYSA-N |