4,5,6,7-tetrachloro-2-(2-phenyl-1,3-benzoxazol-5-yl)-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
4,5,6,7-tetrachloro-2-(2-phenyl-1,3-benzoxazol-5-yl)-1H-isoindole-1,3(2H)-dione
4,5,6,7-tetrachloro-2-(2-phenyl-1,3-benzoxazol-5-yl)-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K212-0004 |
| Compound Name: | 4,5,6,7-tetrachloro-2-(2-phenyl-1,3-benzoxazol-5-yl)-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 478.12 |
| Molecular Formula: | C21 H8 Cl4 N2 O3 |
| Smiles: | c1ccc(cc1)c1nc2cc(ccc2o1)N1C(c2c(C1=O)c(c(c(c2[Cl])[Cl])[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4849 |
| logD: | 5.4849 |
| logSw: | -7.1647 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.69 |
| InChI Key: | BRZWQDHXIRREHV-UHFFFAOYSA-N |