1-(4-methylphenyl)-2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(4-methylphenyl)-2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}ethan-1-one
1-(4-methylphenyl)-2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 6623-1399 |
| Compound Name: | 1-(4-methylphenyl)-2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 438.55 |
| Molecular Formula: | C26 H22 N4 O S |
| Smiles: | Cc1ccc(cc1)C(CSc1nc2c(c3ccccc3n2CCc2ccccc2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5759 |
| logD: | 5.5759 |
| logSw: | -5.6499 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.932 |
| InChI Key: | RWUSEMPFHYISKH-UHFFFAOYSA-N |