6-hexyl-7-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-hexyl-7-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)-2H-1-benzopyran-2-one
6-hexyl-7-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)-2H-1-benzopyran-2-one
Compound characteristics
Compound ID: | 0657-0125 |
Compound Name: | 6-hexyl-7-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)-2H-1-benzopyran-2-one |
Molecular Weight: | 343.44 |
Molecular Formula: | C19 H21 N O3 S |
Smiles: | CCCCCCc1cc2C=C(C(=O)Oc2cc1O)c1csc(C)n1 |
Stereo: | ACHIRAL |
logP: | 5.1464 |
logD: | 5.1327 |
logSw: | -4.6082 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 47.249 |
InChI Key: | NGAFDYBHZBOLTR-UHFFFAOYSA-N |