3-[5-(benzyloxy)-1H-indol-3-yl]-2-cyano-N-(4-methoxy-2-nitrophenyl)prop-2-enamide
Chemical Structure Depiction of
3-[5-(benzyloxy)-1H-indol-3-yl]-2-cyano-N-(4-methoxy-2-nitrophenyl)prop-2-enamide
3-[5-(benzyloxy)-1H-indol-3-yl]-2-cyano-N-(4-methoxy-2-nitrophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | 3681-2450 |
| Compound Name: | 3-[5-(benzyloxy)-1H-indol-3-yl]-2-cyano-N-(4-methoxy-2-nitrophenyl)prop-2-enamide |
| Molecular Weight: | 468.47 |
| Molecular Formula: | C26 H20 N4 O5 |
| Smiles: | COc1ccc(c(c1)[N+]([O-])=O)NC(C(=C\c1c[nH]c2ccc(cc12)OCc1ccccc1)\C#N)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4462 |
| logD: | 3.3708 |
| logSw: | -5.6145 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.411 |
| InChI Key: | PWVYPEANJIYEAR-UHFFFAOYSA-N |