N-{4-[3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}-3-nitrobenzamide
Chemical Structure Depiction of
N-{4-[3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}-3-nitrobenzamide
N-{4-[3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | V003-3903 |
| Compound Name: | N-{4-[3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}-3-nitrobenzamide |
| Molecular Weight: | 475.57 |
| Molecular Formula: | C26 H25 N3 O4 S |
| Smiles: | CC(C)(C)c1ccc(cc1)N1C(c2ccc(cc2)NC(c2cccc(c2)[N+]([O-])=O)=O)SCC1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8283 |
| logD: | 5.8271 |
| logSw: | -5.5658 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.606 |
| InChI Key: | VMVVEOWWYMOSOZ-VWLOTQADSA-N |