2-[(3,5-dimethylphenoxy)methyl]-N-[2-(4-nitrobenzamido)ethyl]-1,3-thiazole-4-carboxamide
Chemical Structure Depiction of
2-[(3,5-dimethylphenoxy)methyl]-N-[2-(4-nitrobenzamido)ethyl]-1,3-thiazole-4-carboxamide
2-[(3,5-dimethylphenoxy)methyl]-N-[2-(4-nitrobenzamido)ethyl]-1,3-thiazole-4-carboxamide
Compound characteristics
| Compound ID: | V015-6628 |
| Compound Name: | 2-[(3,5-dimethylphenoxy)methyl]-N-[2-(4-nitrobenzamido)ethyl]-1,3-thiazole-4-carboxamide |
| Molecular Weight: | 454.5 |
| Molecular Formula: | C22 H22 N4 O5 S |
| Smiles: | Cc1cc(C)cc(c1)OCc1nc(cs1)C(NCCNC(c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4801 |
| logD: | 3.4801 |
| logSw: | -3.8641 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.13 |
| InChI Key: | QUBKIHYUIYVVRJ-UHFFFAOYSA-N |