methyl 3-({2-[4-(methylsulfanyl)phenyl]imidazo[1,2-a]pyrazin-3-yl}amino)benzoate
Chemical Structure Depiction of
methyl 3-({2-[4-(methylsulfanyl)phenyl]imidazo[1,2-a]pyrazin-3-yl}amino)benzoate
methyl 3-({2-[4-(methylsulfanyl)phenyl]imidazo[1,2-a]pyrazin-3-yl}amino)benzoate
Compound characteristics
| Compound ID: | D401-0763 |
| Compound Name: | methyl 3-({2-[4-(methylsulfanyl)phenyl]imidazo[1,2-a]pyrazin-3-yl}amino)benzoate |
| Molecular Weight: | 390.46 |
| Molecular Formula: | C21 H18 N4 O2 S |
| Smiles: | COC(c1cccc(c1)Nc1c(c2ccc(cc2)SC)nc2cnccn12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6152 |
| logD: | 4.6149 |
| logSw: | -4.3185 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.371 |
| InChI Key: | YRKFUYSRVZVRQA-UHFFFAOYSA-N |