2-[2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine-3-carbonyl]-6-nitrobenzoic acid
Chemical Structure Depiction of
2-[2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine-3-carbonyl]-6-nitrobenzoic acid
2-[2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine-3-carbonyl]-6-nitrobenzoic acid
Compound characteristics
| Compound ID: | 8006-4657 |
| Compound Name: | 2-[2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine-3-carbonyl]-6-nitrobenzoic acid |
| Molecular Weight: | 467.29 |
| Molecular Formula: | C18 H15 Br N2 O6 S |
| Smiles: | COc1ccc(cc1[Br])C1N(CCS1)C(c1cccc(c1C(O)=O)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9583 |
| logD: | -2.5787 |
| logSw: | -3.4462 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.796 |
| InChI Key: | AHHVCFBYRVWLCH-KRWDZBQOSA-N |