3-(benzyloxy)-4,6-dinitro-1,2-benzothiazole
Chemical Structure Depiction of
3-(benzyloxy)-4,6-dinitro-1,2-benzothiazole
3-(benzyloxy)-4,6-dinitro-1,2-benzothiazole
Compound characteristics
| Compound ID: | 8008-3279 |
| Compound Name: | 3-(benzyloxy)-4,6-dinitro-1,2-benzothiazole |
| Molecular Weight: | 331.3 |
| Molecular Formula: | C14 H9 N3 O5 S |
| Smiles: | C(c1ccccc1)Oc1c2c(cc(cc2sn1)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9715 |
| logD: | 3.9715 |
| logSw: | -4.4744 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 84.906 |
| InChI Key: | BAEFCAFOBAAYQA-UHFFFAOYSA-N |