4-[2-cyano-3-oxo-3-(2,4,6-trimethylanilino)prop-1-en-1-yl]phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
4-[2-cyano-3-oxo-3-(2,4,6-trimethylanilino)prop-1-en-1-yl]phenyl 4-acetamidobenzene-1-sulfonate
4-[2-cyano-3-oxo-3-(2,4,6-trimethylanilino)prop-1-en-1-yl]phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | 8013-8232 |
| Compound Name: | 4-[2-cyano-3-oxo-3-(2,4,6-trimethylanilino)prop-1-en-1-yl]phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 503.58 |
| Molecular Formula: | C27 H25 N3 O5 S |
| Smiles: | CC(Nc1ccc(cc1)S(=O)(=O)Oc1ccc(\C=C(/C#N)C(Nc2c(C)cc(C)cc2C)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0485 |
| logD: | 4.0435 |
| logSw: | -4.1027 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.014 |
| InChI Key: | BTSNERKVLQHABQ-UHFFFAOYSA-N |