3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-8-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-8-nitro-2H-1-benzopyran-2-one
3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-8-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K277-0013 |
| Compound Name: | 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-8-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 384.8 |
| Molecular Formula: | C18 H9 Cl N2 O4 S |
| Smiles: | C1=C(C(=O)Oc2c1cccc2[N+]([O-])=O)c1nc(cs1)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.4619 |
| logD: | 5.4619 |
| logSw: | -6.1686 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.387 |
| InChI Key: | WRDNFZMNOZQSBT-UHFFFAOYSA-N |