3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-6-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-6-nitro-2H-1-benzopyran-2-one
3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-6-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K277-0016 |
| Compound Name: | 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-6-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 429.25 |
| Molecular Formula: | C18 H9 Br N2 O4 S |
| Smiles: | C1=C(C(=O)Oc2ccc(cc12)[N+]([O-])=O)c1nc(cs1)c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.5837 |
| logD: | 5.5837 |
| logSw: | -6.0359 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.004 |
| InChI Key: | CRIPKVNNKPLXKB-UHFFFAOYSA-N |