methyl 3-({5-[4-(methylsulfanyl)phenyl]-3H-imidazo[1,2-b][1,2,4]triazol-6-yl}amino)benzoate
Chemical Structure Depiction of
methyl 3-({5-[4-(methylsulfanyl)phenyl]-3H-imidazo[1,2-b][1,2,4]triazol-6-yl}amino)benzoate
methyl 3-({5-[4-(methylsulfanyl)phenyl]-3H-imidazo[1,2-b][1,2,4]triazol-6-yl}amino)benzoate
Compound characteristics
| Compound ID: | J008-0555 |
| Compound Name: | methyl 3-({5-[4-(methylsulfanyl)phenyl]-3H-imidazo[1,2-b][1,2,4]triazol-6-yl}amino)benzoate |
| Molecular Weight: | 379.44 |
| Molecular Formula: | C19 H17 N5 O2 S |
| Smiles: | COC(c1cccc(c1)Nc1c(c2ccc(cc2)SC)nc2[nH]cnn12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0637 |
| logD: | 3.9119 |
| logSw: | -4.2754 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.015 |
| InChI Key: | LGYNJKLBDJWLTE-UHFFFAOYSA-N |