2-(2,5-dimethylphenyl)-2-oxoethyl 2-[(4-nitrophenyl)sulfanyl]benzoate
Chemical Structure Depiction of
2-(2,5-dimethylphenyl)-2-oxoethyl 2-[(4-nitrophenyl)sulfanyl]benzoate
2-(2,5-dimethylphenyl)-2-oxoethyl 2-[(4-nitrophenyl)sulfanyl]benzoate
Compound characteristics
| Compound ID: | 3257-3112 |
| Compound Name: | 2-(2,5-dimethylphenyl)-2-oxoethyl 2-[(4-nitrophenyl)sulfanyl]benzoate |
| Molecular Weight: | 421.47 |
| Molecular Formula: | C23 H19 N O5 S |
| Smiles: | Cc1ccc(C)c(c1)C(COC(c1ccccc1Sc1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9783 |
| logD: | 5.9783 |
| logSw: | -5.4898 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 67.453 |
| InChI Key: | WEXIXAUDOGEFNJ-UHFFFAOYSA-N |