6,8-di-tert-butyl-3-(6-nitro-1H-benzimidazol-2-yl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6,8-di-tert-butyl-3-(6-nitro-1H-benzimidazol-2-yl)-2H-1-benzopyran-2-one
6,8-di-tert-butyl-3-(6-nitro-1H-benzimidazol-2-yl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K026-0251 |
| Compound Name: | 6,8-di-tert-butyl-3-(6-nitro-1H-benzimidazol-2-yl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 419.48 |
| Molecular Formula: | C24 H25 N3 O4 |
| Smiles: | CC(C)(C)c1cc2C=C(C(=O)Oc2c(c1)C(C)(C)C)c1nc2ccc(cc2[nH]1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 6.6484 |
| logD: | 6.6478 |
| logSw: | -5.7192 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.245 |
| InChI Key: | ARVAXKMRLGILGW-UHFFFAOYSA-N |