3-{[2-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-yl]amino}benzoic acid
Chemical Structure Depiction of
3-{[2-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-yl]amino}benzoic acid
3-{[2-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-yl]amino}benzoic acid
Compound characteristics
| Compound ID: | D401-0789 |
| Compound Name: | 3-{[2-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-yl]amino}benzoic acid |
| Molecular Weight: | 375.34 |
| Molecular Formula: | C19 H13 N5 O4 |
| Smiles: | c1cc(cc(c1)Nc1c(c2ccc(cc2)[N+]([O-])=O)nc2cnccn12)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6742 |
| logD: | 0.3798 |
| logSw: | -3.8106 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.986 |
| InChI Key: | BBXWWJKHUUQVMK-UHFFFAOYSA-N |