2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(2-phenylethyl)pteridin-4(3H)-one
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(2-phenylethyl)pteridin-4(3H)-one
2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(2-phenylethyl)pteridin-4(3H)-one
Compound characteristics
| Compound ID: | E196-0101 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(2-phenylethyl)pteridin-4(3H)-one |
| Molecular Weight: | 408.91 |
| Molecular Formula: | C21 H17 Cl N4 O S |
| Smiles: | C(CN1C(=Nc2c(C1=O)nccn2)SCc1ccc(cc1)[Cl])c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0857 |
| logD: | 4.0857 |
| logSw: | -4.5861 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.282 |
| InChI Key: | IOLPRIYEFAPDLR-UHFFFAOYSA-N |