3-[2-(1H-indol-3-yl)ethyl]-2-{[(4-methylphenyl)methyl]sulfanyl}pteridin-4(3H)-one
Chemical Structure Depiction of
3-[2-(1H-indol-3-yl)ethyl]-2-{[(4-methylphenyl)methyl]sulfanyl}pteridin-4(3H)-one
3-[2-(1H-indol-3-yl)ethyl]-2-{[(4-methylphenyl)methyl]sulfanyl}pteridin-4(3H)-one
Compound characteristics
| Compound ID: | E196-0246 |
| Compound Name: | 3-[2-(1H-indol-3-yl)ethyl]-2-{[(4-methylphenyl)methyl]sulfanyl}pteridin-4(3H)-one |
| Molecular Weight: | 427.53 |
| Molecular Formula: | C24 H21 N5 O S |
| Smiles: | Cc1ccc(CSC2=Nc3c(C(N2CCc2c[nH]c4ccccc24)=O)nccn3)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0151 |
| logD: | 4.0151 |
| logSw: | -3.9713 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.153 |
| InChI Key: | PXWYYLYSUCVUFK-UHFFFAOYSA-N |