3-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-6-chloro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-6-chloro-2H-1-benzopyran-2-one
3-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-6-chloro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K277-0084 |
| Compound Name: | 3-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-6-chloro-2H-1-benzopyran-2-one |
| Molecular Weight: | 411.91 |
| Molecular Formula: | C22 H18 Cl N O3 S |
| Smiles: | CCCCOc1ccc(cc1)c1csc(C2=Cc3cc(ccc3OC2=O)[Cl])n1 |
| Stereo: | ACHIRAL |
| logP: | 6.8289 |
| logD: | 6.8289 |
| logSw: | -6.3941 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.04 |
| InChI Key: | AFNNGUJQTNTYQY-UHFFFAOYSA-N |