N-(4-bromophenyl)-2-{[4-oxo-3-(2-phenylethyl)-3,4-dihydropteridin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-{[4-oxo-3-(2-phenylethyl)-3,4-dihydropteridin-2-yl]sulfanyl}acetamide
N-(4-bromophenyl)-2-{[4-oxo-3-(2-phenylethyl)-3,4-dihydropteridin-2-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | E196-0126 |
Compound Name: | N-(4-bromophenyl)-2-{[4-oxo-3-(2-phenylethyl)-3,4-dihydropteridin-2-yl]sulfanyl}acetamide |
Molecular Weight: | 496.38 |
Molecular Formula: | C22 H18 Br N5 O2 S |
Smiles: | C(CN1C(=Nc2c(C1=O)nccn2)SCC(Nc1ccc(cc1)[Br])=O)c1ccccc1 |
Stereo: | ACHIRAL |
logP: | 4.0003 |
logD: | 4.0003 |
logSw: | -4.2031 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 68.431 |
InChI Key: | YTJVUXXPEKRIGL-UHFFFAOYSA-N |