ethyl 4-(acetyloxy)-2-methyl-5-[(2-nitrophenyl)sulfanyl]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 4-(acetyloxy)-2-methyl-5-[(2-nitrophenyl)sulfanyl]thiophene-3-carboxylate
ethyl 4-(acetyloxy)-2-methyl-5-[(2-nitrophenyl)sulfanyl]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4401-0072 |
| Compound Name: | ethyl 4-(acetyloxy)-2-methyl-5-[(2-nitrophenyl)sulfanyl]thiophene-3-carboxylate |
| Molecular Weight: | 381.42 |
| Molecular Formula: | C16 H15 N O6 S2 |
| Smiles: | CCOC(c1c(c(Sc2ccccc2[N+]([O-])=O)sc1C)OC(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2596 |
| logD: | 4.2596 |
| logSw: | -4.4876 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 75.744 |
| InChI Key: | YZUMSFIJXRWVGD-UHFFFAOYSA-N |