6-hexyl-7-hydroxy-3-(6-nitro-1H-benzimidazol-2-yl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-hexyl-7-hydroxy-3-(6-nitro-1H-benzimidazol-2-yl)-2H-1-benzopyran-2-one
6-hexyl-7-hydroxy-3-(6-nitro-1H-benzimidazol-2-yl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K026-0273 |
| Compound Name: | 6-hexyl-7-hydroxy-3-(6-nitro-1H-benzimidazol-2-yl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 407.42 |
| Molecular Formula: | C22 H21 N3 O5 |
| Smiles: | CCCCCCc1cc2C=C(C(=O)Oc2cc1O)c1nc2ccc(cc2[nH]1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4265 |
| logD: | 5.4128 |
| logSw: | -5.0769 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.109 |
| InChI Key: | QTGZVWNUCAWAHH-UHFFFAOYSA-N |