methyl 8-nitro-4-(piperidin-1-yl)-2-(trifluoromethyl)-2H-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2-carboxylate
Chemical Structure Depiction of
methyl 8-nitro-4-(piperidin-1-yl)-2-(trifluoromethyl)-2H-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2-carboxylate
methyl 8-nitro-4-(piperidin-1-yl)-2-(trifluoromethyl)-2H-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2-carboxylate
Compound characteristics
| Compound ID: | 8015-8824 |
| Compound Name: | methyl 8-nitro-4-(piperidin-1-yl)-2-(trifluoromethyl)-2H-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2-carboxylate |
| Molecular Weight: | 443.4 |
| Molecular Formula: | C17 H16 F3 N5 O4 S |
| Smiles: | COC(C1(C(F)(F)F)N=C(N2CCCCC2)N2C(=N1)Sc1cc(ccc12)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6746 |
| logD: | 2.7748 |
| logSw: | -4.0059 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.236 |
| InChI Key: | OFGQHDCQIUIJQA-INIZCTEOSA-N |