6,8-dichloro-3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6,8-dichloro-3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2H-1-benzopyran-2-one
6,8-dichloro-3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 1246-0883 |
| Compound Name: | 6,8-dichloro-3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 402.3 |
| Molecular Formula: | C20 H13 Cl2 N O2 S |
| Smiles: | Cc1ccc(c(C)c1)c1csc(C2=Cc3cc(cc(c3OC2=O)[Cl])[Cl])n1 |
| Stereo: | ACHIRAL |
| logP: | 6.7887 |
| logD: | 6.7887 |
| logSw: | -6.4155 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 30.3067 |
| InChI Key: | PXXKEYBDFYMRKL-UHFFFAOYSA-N |