2-[(4-methylphenoxy)methyl]-N-[2-(4-nitrobenzamido)ethyl]-1,3-thiazole-4-carboxamide
Chemical Structure Depiction of
2-[(4-methylphenoxy)methyl]-N-[2-(4-nitrobenzamido)ethyl]-1,3-thiazole-4-carboxamide
2-[(4-methylphenoxy)methyl]-N-[2-(4-nitrobenzamido)ethyl]-1,3-thiazole-4-carboxamide
Compound characteristics
| Compound ID: | V001-5891 |
| Compound Name: | 2-[(4-methylphenoxy)methyl]-N-[2-(4-nitrobenzamido)ethyl]-1,3-thiazole-4-carboxamide |
| Molecular Weight: | 440.48 |
| Molecular Formula: | C21 H20 N4 O5 S |
| Smiles: | Cc1ccc(cc1)OCc1nc(cs1)C(NCCNC(c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0204 |
| logD: | 3.0204 |
| logSw: | -3.475 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.13 |
| InChI Key: | GXQOFOHBLCLLTQ-UHFFFAOYSA-N |