2-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-N-[2-(3-nitrobenzamido)ethyl]-1,3-thiazole-4-carboxamide
Chemical Structure Depiction of
2-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-N-[2-(3-nitrobenzamido)ethyl]-1,3-thiazole-4-carboxamide
2-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-N-[2-(3-nitrobenzamido)ethyl]-1,3-thiazole-4-carboxamide
Compound characteristics
| Compound ID: | V008-6936 |
| Compound Name: | 2-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-N-[2-(3-nitrobenzamido)ethyl]-1,3-thiazole-4-carboxamide |
| Molecular Weight: | 482.56 |
| Molecular Formula: | C24 H26 N4 O5 S |
| Smiles: | CC(C)c1ccc(C)cc1OCc1nc(cs1)C(NCCNC(c1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3988 |
| logD: | 4.3988 |
| logSw: | -4.3387 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.216 |
| InChI Key: | JEJDYILFXYJPNE-UHFFFAOYSA-N |