S-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-[3-(3-nitrophenyl)prop-2-enoyl]cysteine
Chemical Structure Depiction of
S-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-[3-(3-nitrophenyl)prop-2-enoyl]cysteine
S-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-[3-(3-nitrophenyl)prop-2-enoyl]cysteine
Compound characteristics
| Compound ID: | K781-3568 |
| Compound Name: | S-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-[3-(3-nitrophenyl)prop-2-enoyl]cysteine |
| Molecular Weight: | 457.5 |
| Molecular Formula: | C22 H23 N3 O6 S |
| Smiles: | Cc1cc(C)cc(c1)NC(CSCC(C(O)=O)NC(/C=C/c1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6782 |
| logD: | -1.4256 |
| logSw: | -2.894 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 109.008 |
| InChI Key: | GDCPUVLSZNXDJC-IBGZPJMESA-N |