ethyl 5-[(5-bromo-2-nitrophenyl)sulfanyl]-4-methoxy-2-methylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(5-bromo-2-nitrophenyl)sulfanyl]-4-methoxy-2-methylthiophene-3-carboxylate
ethyl 5-[(5-bromo-2-nitrophenyl)sulfanyl]-4-methoxy-2-methylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4401-0074 |
| Compound Name: | ethyl 5-[(5-bromo-2-nitrophenyl)sulfanyl]-4-methoxy-2-methylthiophene-3-carboxylate |
| Molecular Weight: | 432.31 |
| Molecular Formula: | C15 H14 Br N O5 S2 |
| Smiles: | CCOC(c1c(c(Sc2cc(ccc2[N+]([O-])=O)[Br])sc1C)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3302 |
| logD: | 5.3302 |
| logSw: | -5.4756 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.537 |
| InChI Key: | PLFQEJWHBLUMAU-UHFFFAOYSA-N |