3-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-6-chloro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-6-chloro-2H-1-benzopyran-2-one
3-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-6-chloro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K232-0421 |
| Compound Name: | 3-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-6-chloro-2H-1-benzopyran-2-one |
| Molecular Weight: | 396.85 |
| Molecular Formula: | C20 H13 Cl N2 O3 S |
| Smiles: | CC(c1cccc(c1)Nc1nc(cs1)C1=Cc2cc(ccc2OC1=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0751 |
| logD: | 5.0751 |
| logSw: | -5.3859 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.674 |
| InChI Key: | BNVVPOUHWFQQNJ-UHFFFAOYSA-N |