4-amino-3-(2,6-dimethylphenyl)-N-(4-nitrophenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxamide
Chemical Structure Depiction of
4-amino-3-(2,6-dimethylphenyl)-N-(4-nitrophenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxamide
4-amino-3-(2,6-dimethylphenyl)-N-(4-nitrophenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxamide
Compound characteristics
| Compound ID: | A0062672 |
| Compound Name: | 4-amino-3-(2,6-dimethylphenyl)-N-(4-nitrophenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxamide |
| Molecular Weight: | 400.48 |
| Molecular Formula: | C18 H16 N4 O3 S2 |
| Smiles: | Cc1cccc(C)c1N1C(=C(C(Nc2ccc(cc2)[N+]([O-])=O)=O)SC1=S)N |
| Stereo: | ACHIRAL |
| logP: | 3.8928 |
| logD: | 3.8927 |
| logSw: | -4.2649 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.985 |
| InChI Key: | XANNAJHYXLGJRE-UHFFFAOYSA-N |