3-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxy-2H-1-benzopyran-2-one
3-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 1564-0076 |
| Compound Name: | 3-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 469.33 |
| Molecular Formula: | C23 H21 Br N2 O4 |
| Smiles: | CCCCCCc1cc2C=C(C(=O)Oc2cc1O)c1nnc(c2ccc(cc2)[Br])o1 |
| Stereo: | ACHIRAL |
| logP: | 6.1691 |
| logD: | 6.1555 |
| logSw: | -5.1972 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.952 |
| InChI Key: | VXUCRLGEOLFUOP-UHFFFAOYSA-N |