2-({[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]imino}methyl)-1-hydroxy-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Chemical Structure Depiction of
2-({[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]imino}methyl)-1-hydroxy-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
2-({[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]imino}methyl)-1-hydroxy-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Compound characteristics
| Compound ID: | Y508-1036 |
| Compound Name: | 2-({[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]imino}methyl)-1-hydroxy-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile |
| Molecular Weight: | 522.36 |
| Molecular Formula: | C27 H16 Br N5 O2 |
| Smiles: | Cc1c(/C=N/c2ccc3c(c2)nc(c2ccccc2[Br])o3)c(n2c3ccccc3nc2c1C#N)O |
| Stereo: | ACHIRAL |
| logP: | 5.5543 |
| logD: | 1.2798 |
| logSw: | -5.4631 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.477 |
| InChI Key: | YPQNSBHZJGSDPJ-UHFFFAOYSA-N |