methyl 4-(morpholin-4-yl)-8-nitro-2-(trifluoromethyl)-2H-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2-carboxylate
Chemical Structure Depiction of
methyl 4-(morpholin-4-yl)-8-nitro-2-(trifluoromethyl)-2H-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2-carboxylate
methyl 4-(morpholin-4-yl)-8-nitro-2-(trifluoromethyl)-2H-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2-carboxylate
Compound characteristics
| Compound ID: | 8019-1434 |
| Compound Name: | methyl 4-(morpholin-4-yl)-8-nitro-2-(trifluoromethyl)-2H-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2-carboxylate |
| Molecular Weight: | 445.37 |
| Molecular Formula: | C16 H14 F3 N5 O5 S |
| Smiles: | COC(C1(C(F)(F)F)N=C(N2CCOCC2)N2C(=N1)Sc1cc(ccc12)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.516 |
| logD: | 1.4595 |
| logSw: | -2.733 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 88.145 |
| InChI Key: | FDUXMQIHPKKHBF-HNNXBMFYSA-N |