2-cyano-N-(2-methoxy-5-nitrophenyl)-3-[1-(4-methylbenzene-1-sulfonyl)-1H-indol-3-yl]prop-2-enamide
Chemical Structure Depiction of
2-cyano-N-(2-methoxy-5-nitrophenyl)-3-[1-(4-methylbenzene-1-sulfonyl)-1H-indol-3-yl]prop-2-enamide
2-cyano-N-(2-methoxy-5-nitrophenyl)-3-[1-(4-methylbenzene-1-sulfonyl)-1H-indol-3-yl]prop-2-enamide
Compound characteristics
| Compound ID: | 3681-4010 |
| Compound Name: | 2-cyano-N-(2-methoxy-5-nitrophenyl)-3-[1-(4-methylbenzene-1-sulfonyl)-1H-indol-3-yl]prop-2-enamide |
| Molecular Weight: | 516.53 |
| Molecular Formula: | C26 H20 N4 O6 S |
| Smiles: | Cc1ccc(cc1)S(n1cc(\C=C(/C#N)C(Nc2cc(ccc2OC)[N+]([O-])=O)=O)c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8174 |
| logD: | 2.8507 |
| logSw: | -4.7582 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.693 |
| InChI Key: | CWFPPRPFZPVZJX-UHFFFAOYSA-N |