N-(4-chloro-3-nitrophenyl)-2-cyano-3-[1-(4-methylbenzene-1-sulfonyl)-1H-indol-3-yl]prop-2-enamide
Chemical Structure Depiction of
N-(4-chloro-3-nitrophenyl)-2-cyano-3-[1-(4-methylbenzene-1-sulfonyl)-1H-indol-3-yl]prop-2-enamide
N-(4-chloro-3-nitrophenyl)-2-cyano-3-[1-(4-methylbenzene-1-sulfonyl)-1H-indol-3-yl]prop-2-enamide
Compound characteristics
| Compound ID: | 3681-3398 |
| Compound Name: | N-(4-chloro-3-nitrophenyl)-2-cyano-3-[1-(4-methylbenzene-1-sulfonyl)-1H-indol-3-yl]prop-2-enamide |
| Molecular Weight: | 520.95 |
| Molecular Formula: | C25 H17 Cl N4 O5 S |
| Smiles: | Cc1ccc(cc1)S(n1cc(\C=C(/C#N)C(Nc2ccc(c(c2)[N+]([O-])=O)[Cl])=O)c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3023 |
| logD: | 2.9873 |
| logSw: | -6.0077 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.459 |
| InChI Key: | CVKCUDPHXVWBNS-UHFFFAOYSA-N |