6-tert-butyl-8-hydroxy-3-(6-nitro-1H-benzimidazol-2-yl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-tert-butyl-8-hydroxy-3-(6-nitro-1H-benzimidazol-2-yl)-2H-1-benzopyran-2-one
6-tert-butyl-8-hydroxy-3-(6-nitro-1H-benzimidazol-2-yl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K026-0267 |
| Compound Name: | 6-tert-butyl-8-hydroxy-3-(6-nitro-1H-benzimidazol-2-yl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 379.37 |
| Molecular Formula: | C20 H17 N3 O5 |
| Smiles: | CC(C)(C)c1cc2C=C(C(=O)Oc2c(c1)O)c1nc2ccc(cc2[nH]1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6734 |
| logD: | 4.6448 |
| logSw: | -4.4109 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.794 |
| InChI Key: | XQUJBLNDDDNQDG-UHFFFAOYSA-N |