methyl 4-{3-[(2H-1,3-benzodioxol-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl}benzoate
Chemical Structure Depiction of
methyl 4-{3-[(2H-1,3-benzodioxol-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl}benzoate
methyl 4-{3-[(2H-1,3-benzodioxol-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl}benzoate
Compound characteristics
| Compound ID: | D401-0500 |
| Compound Name: | methyl 4-{3-[(2H-1,3-benzodioxol-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl}benzoate |
| Molecular Weight: | 388.38 |
| Molecular Formula: | C21 H16 N4 O4 |
| Smiles: | COC(c1ccc(cc1)c1c(Nc2ccc3c(c2)OCO3)n2ccncc2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5484 |
| logD: | 3.5481 |
| logSw: | -3.4283 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.486 |
| InChI Key: | YSUJEIVRSREUJE-UHFFFAOYSA-N |