methyl 3-({6-bromo-2-[4-(methylsulfanyl)phenyl]imidazo[1,2-a]pyrazin-3-yl}amino)benzoate
Chemical Structure Depiction of
methyl 3-({6-bromo-2-[4-(methylsulfanyl)phenyl]imidazo[1,2-a]pyrazin-3-yl}amino)benzoate
methyl 3-({6-bromo-2-[4-(methylsulfanyl)phenyl]imidazo[1,2-a]pyrazin-3-yl}amino)benzoate
Compound characteristics
| Compound ID: | J022-0943 |
| Compound Name: | methyl 3-({6-bromo-2-[4-(methylsulfanyl)phenyl]imidazo[1,2-a]pyrazin-3-yl}amino)benzoate |
| Molecular Weight: | 469.36 |
| Molecular Formula: | C21 H17 Br N4 O2 S |
| Smiles: | COC(c1cccc(c1)Nc1c(c2ccc(cc2)SC)nc2cnc(cn12)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.5855 |
| logD: | 5.5854 |
| logSw: | -5.4596 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.233 |
| InChI Key: | BGNCFYWCSROUMN-UHFFFAOYSA-N |