3-[4-(5-chloro-2-methoxyphenyl)-1,3-thiazol-2-yl]-6-hexyl-7-hydroxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[4-(5-chloro-2-methoxyphenyl)-1,3-thiazol-2-yl]-6-hexyl-7-hydroxy-2H-1-benzopyran-2-one
3-[4-(5-chloro-2-methoxyphenyl)-1,3-thiazol-2-yl]-6-hexyl-7-hydroxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 1080-0283 |
| Compound Name: | 3-[4-(5-chloro-2-methoxyphenyl)-1,3-thiazol-2-yl]-6-hexyl-7-hydroxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 469.99 |
| Molecular Formula: | C25 H24 Cl N O4 S |
| Smiles: | CCCCCCc1cc2C=C(C(=O)Oc2cc1O)c1nc(cs1)c1cc(ccc1OC)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 7.2994 |
| logD: | 7.2857 |
| logSw: | -5.9551 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.801 |
| InChI Key: | YAPWROMJHLGJDU-UHFFFAOYSA-N |