3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-6-chloro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-6-chloro-2H-1-benzopyran-2-one
3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-6-chloro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K277-0015 |
| Compound Name: | 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-6-chloro-2H-1-benzopyran-2-one |
| Molecular Weight: | 418.69 |
| Molecular Formula: | C18 H9 Br Cl N O2 S |
| Smiles: | C1=C(C(=O)Oc2ccc(cc12)[Cl])c1nc(cs1)c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 6.2305 |
| logD: | 6.2305 |
| logSw: | -6.4243 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 30.6225 |
| InChI Key: | IFXIRVJWAYZLBD-UHFFFAOYSA-N |