N~1~-(6-nitro-1,3-benzothiazol-2-yl)-N~3~-[2-nitro-4-(trifluoromethyl)phenyl]propane-1,3-diamine
Chemical Structure Depiction of
N~1~-(6-nitro-1,3-benzothiazol-2-yl)-N~3~-[2-nitro-4-(trifluoromethyl)phenyl]propane-1,3-diamine
N~1~-(6-nitro-1,3-benzothiazol-2-yl)-N~3~-[2-nitro-4-(trifluoromethyl)phenyl]propane-1,3-diamine
Compound characteristics
| Compound ID: | 8012-1117 |
| Compound Name: | N~1~-(6-nitro-1,3-benzothiazol-2-yl)-N~3~-[2-nitro-4-(trifluoromethyl)phenyl]propane-1,3-diamine |
| Molecular Weight: | 441.39 |
| Molecular Formula: | C17 H14 F3 N5 O4 S |
| Smiles: | C(CNc1ccc(cc1[N+]([O-])=O)C(F)(F)F)CNc1nc2ccc(cc2s1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1604 |
| logD: | 5.1604 |
| logSw: | -5.6559 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.188 |
| InChI Key: | DEEBWAGCXUXKRT-UHFFFAOYSA-N |