N,N'-[2-(1,3-benzothiazol-2-yl)-1,4-phenylene]bis(4-nitrobenzamide)
Chemical Structure Depiction of
N,N'-[2-(1,3-benzothiazol-2-yl)-1,4-phenylene]bis(4-nitrobenzamide)
N,N'-[2-(1,3-benzothiazol-2-yl)-1,4-phenylene]bis(4-nitrobenzamide)
Compound characteristics
| Compound ID: | 1347-1331 |
| Compound Name: | N,N'-[2-(1,3-benzothiazol-2-yl)-1,4-phenylene]bis(4-nitrobenzamide) |
| Molecular Weight: | 539.53 |
| Molecular Formula: | C27 H17 N5 O6 S |
| Smiles: | c1ccc2c(c1)nc(c1cc(ccc1NC(c1ccc(cc1)[N+]([O-])=O)=O)NC(c1ccc(cc1)[N+]([O-])=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 6.0274 |
| logD: | 6.0273 |
| logSw: | -6.0109 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 121.935 |
| InChI Key: | KGTSRBAHJQWTLH-UHFFFAOYSA-N |