3-[(4-chlorophenyl)methyl]-2-sulfanylidene-2,3-dihydropteridin-4(1H)-one
Chemical Structure Depiction of
3-[(4-chlorophenyl)methyl]-2-sulfanylidene-2,3-dihydropteridin-4(1H)-one
3-[(4-chlorophenyl)methyl]-2-sulfanylidene-2,3-dihydropteridin-4(1H)-one
Compound characteristics
| Compound ID: | C200-2763 |
| Compound Name: | 3-[(4-chlorophenyl)methyl]-2-sulfanylidene-2,3-dihydropteridin-4(1H)-one |
| Molecular Weight: | 304.75 |
| Molecular Formula: | C13 H9 Cl N4 O S |
| Smiles: | C(c1ccc(cc1)[Cl])N1C(c2c(NC1=S)nccn2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4906 |
| logD: | 2.4523 |
| logSw: | -3.2707 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.85 |
| InChI Key: | JKAPXUOMTSHPRO-UHFFFAOYSA-N |