1-deoxy-1-{methyl[2-nitro-4-(trifluoromethyl)phenyl]amino}hexitol
Chemical Structure Depiction of
1-deoxy-1-{methyl[2-nitro-4-(trifluoromethyl)phenyl]amino}hexitol
1-deoxy-1-{methyl[2-nitro-4-(trifluoromethyl)phenyl]amino}hexitol
Compound characteristics
| Compound ID: | 8017-5804 |
| Compound Name: | 1-deoxy-1-{methyl[2-nitro-4-(trifluoromethyl)phenyl]amino}hexitol |
| Molecular Weight: | 384.31 |
| Molecular Formula: | C14 H19 F3 N2 O7 |
| Smiles: | CN(CC(C(C(C(CO)O)O)O)O)c1ccc(cc1[N+]([O-])=O)C(F)(F)F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.1399 |
| logD: | -0.1399 |
| logSw: | -1.5845 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 117.033 |
| InChI Key: | RXYPRVAOVPUNSX-UHFFFAOYSA-N |