6-hexyl-7-hydroxy-3-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-hexyl-7-hydroxy-3-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]-2H-1-benzopyran-2-one
6-hexyl-7-hydroxy-3-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 1564-0071 |
| Compound Name: | 6-hexyl-7-hydroxy-3-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 435.44 |
| Molecular Formula: | C23 H21 N3 O6 |
| Smiles: | CCCCCCc1cc2C=C(C(=O)Oc2cc1O)c1nnc(c2ccc(cc2)[N+]([O-])=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.2609 |
| logD: | 5.2472 |
| logSw: | -4.9115 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.334 |
| InChI Key: | YIXBXBSCLHNPRF-UHFFFAOYSA-N |