3-{2-[acetyl(3-methylphenyl)amino]-1,3-thiazol-4-yl}-6-hexyl-2-oxo-2H-1-benzopyran-7-yl acetate
Chemical Structure Depiction of
3-{2-[acetyl(3-methylphenyl)amino]-1,3-thiazol-4-yl}-6-hexyl-2-oxo-2H-1-benzopyran-7-yl acetate
3-{2-[acetyl(3-methylphenyl)amino]-1,3-thiazol-4-yl}-6-hexyl-2-oxo-2H-1-benzopyran-7-yl acetate
Compound characteristics
| Compound ID: | K232-1874 |
| Compound Name: | 3-{2-[acetyl(3-methylphenyl)amino]-1,3-thiazol-4-yl}-6-hexyl-2-oxo-2H-1-benzopyran-7-yl acetate |
| Molecular Weight: | 518.63 |
| Molecular Formula: | C29 H30 N2 O5 S |
| Smiles: | CCCCCCc1cc2C=C(C(=O)Oc2cc1OC(C)=O)c1csc(n1)N(C(C)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.9111 |
| logD: | 6.9111 |
| logSw: | -5.589 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.157 |
| InChI Key: | QELWBRVXJAKPGJ-UHFFFAOYSA-N |