2-(1,3-benzothiazol-2-yl)-3-[4-(2,4-dinitrophenoxy)phenyl]prop-2-enenitrile
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-3-[4-(2,4-dinitrophenoxy)phenyl]prop-2-enenitrile
2-(1,3-benzothiazol-2-yl)-3-[4-(2,4-dinitrophenoxy)phenyl]prop-2-enenitrile
Compound characteristics
| Compound ID: | 1804-0061 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-3-[4-(2,4-dinitrophenoxy)phenyl]prop-2-enenitrile |
| Molecular Weight: | 444.42 |
| Molecular Formula: | C22 H12 N4 O5 S |
| Smiles: | C(=C(/C#N)c1nc2ccccc2s1)/c1ccc(cc1)Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.6046 |
| logD: | 5.6046 |
| logSw: | -5.9863 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 100.04 |
| InChI Key: | PIZYNGWIKYHFOD-UHFFFAOYSA-N |