2-[(3,5-dimethylphenoxy)methyl]-N-{2-[(4-nitrophenyl)carbamamido]cyclohexyl}-1,3-thiazole-4-carboxamide
Chemical Structure Depiction of
2-[(3,5-dimethylphenoxy)methyl]-N-{2-[(4-nitrophenyl)carbamamido]cyclohexyl}-1,3-thiazole-4-carboxamide
2-[(3,5-dimethylphenoxy)methyl]-N-{2-[(4-nitrophenyl)carbamamido]cyclohexyl}-1,3-thiazole-4-carboxamide
Compound characteristics
| Compound ID: | V012-1081 |
| Compound Name: | 2-[(3,5-dimethylphenoxy)methyl]-N-{2-[(4-nitrophenyl)carbamamido]cyclohexyl}-1,3-thiazole-4-carboxamide |
| Molecular Weight: | 523.61 |
| Molecular Formula: | C26 H29 N5 O5 S |
| Smiles: | Cc1cc(C)cc(c1)OCc1nc(cs1)C(NC1CCCCC1NC(Nc1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4127 |
| logD: | 5.4126 |
| logSw: | -5.3299 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 109.425 |
| InChI Key: | KGPCFFWZIDMSQX-UHFFFAOYSA-N |