methyl 3-(4-cyano-3-methyl-1-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}pyrido[1,2-a]benzimidazol-2-yl)propanoate
Chemical Structure Depiction of
methyl 3-(4-cyano-3-methyl-1-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}pyrido[1,2-a]benzimidazol-2-yl)propanoate
methyl 3-(4-cyano-3-methyl-1-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}pyrido[1,2-a]benzimidazol-2-yl)propanoate
Compound characteristics
| Compound ID: | IB08-1758 |
| Compound Name: | methyl 3-(4-cyano-3-methyl-1-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}pyrido[1,2-a]benzimidazol-2-yl)propanoate |
| Molecular Weight: | 493.61 |
| Molecular Formula: | C30 H31 N5 O2 |
| Smiles: | Cc1c(CCC(=O)OC)c(N2CCN(CC2)C/C=C/c2ccccc2)n2c3ccccc3nc2c1C#N |
| Stereo: | ACHIRAL |
| logP: | 5.81 |
| logD: | 4.87 |
| logSw: | -6.04 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 86.75 |
| InChI Key: | CCJWFSADCWJSPQ-UHFFFAOYSA-N |