2-(4-methyl-3-nitrophenyl)-2-oxoethyl 2-[(4-nitrophenyl)sulfanyl]benzoate
Chemical Structure Depiction of
2-(4-methyl-3-nitrophenyl)-2-oxoethyl 2-[(4-nitrophenyl)sulfanyl]benzoate
2-(4-methyl-3-nitrophenyl)-2-oxoethyl 2-[(4-nitrophenyl)sulfanyl]benzoate
Compound characteristics
| Compound ID: | 3257-3114 |
| Compound Name: | 2-(4-methyl-3-nitrophenyl)-2-oxoethyl 2-[(4-nitrophenyl)sulfanyl]benzoate |
| Molecular Weight: | 452.44 |
| Molecular Formula: | C22 H16 N2 O7 S |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(COC(c1ccccc1Sc1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4785 |
| logD: | 5.4785 |
| logSw: | -5.4486 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 100.534 |
| InChI Key: | FAMYSUUOXUFCTO-UHFFFAOYSA-N |