3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-6-hexyl-2-oxo-2H-1-benzopyran-7-yl acetate
Chemical Structure Depiction of
3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-6-hexyl-2-oxo-2H-1-benzopyran-7-yl acetate
3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-6-hexyl-2-oxo-2H-1-benzopyran-7-yl acetate
Compound characteristics
| Compound ID: | 1416-0441 |
| Compound Name: | 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-6-hexyl-2-oxo-2H-1-benzopyran-7-yl acetate |
| Molecular Weight: | 526.45 |
| Molecular Formula: | C26 H24 Br N O4 S |
| Smiles: | CCCCCCc1cc2C=C(C(=O)Oc2cc1OC(C)=O)c1nc(cs1)c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 8.2023 |
| logD: | 8.2023 |
| logSw: | -5.6429 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.46 |
| InChI Key: | LTDLHSBLGYHONI-UHFFFAOYSA-N |