methyl 4-(dimethylamino)-8-nitro-2-(trifluoromethyl)-2H-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2-carboxylate
Chemical Structure Depiction of
methyl 4-(dimethylamino)-8-nitro-2-(trifluoromethyl)-2H-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2-carboxylate
methyl 4-(dimethylamino)-8-nitro-2-(trifluoromethyl)-2H-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2-carboxylate
Compound characteristics
| Compound ID: | 8019-1498 |
| Compound Name: | methyl 4-(dimethylamino)-8-nitro-2-(trifluoromethyl)-2H-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2-carboxylate |
| Molecular Weight: | 403.34 |
| Molecular Formula: | C14 H12 F3 N5 O4 S |
| Smiles: | CN(C)C1=NC(C(=O)OC)(C(F)(F)F)N=C2N1c1ccc(cc1S2)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5705 |
| logD: | 0.0867 |
| logSw: | -2.8771 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.589 |
| InChI Key: | WCVCUPYTTYJIQF-ZDUSSCGKSA-N |