3-[4-(4-chlorophenyl)-5-ethyl-1,3-thiazol-2-yl]-6-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[4-(4-chlorophenyl)-5-ethyl-1,3-thiazol-2-yl]-6-nitro-2H-1-benzopyran-2-one
3-[4-(4-chlorophenyl)-5-ethyl-1,3-thiazol-2-yl]-6-nitro-2H-1-benzopyran-2-one
Compound characteristics
Compound ID: | K277-0149 |
Compound Name: | 3-[4-(4-chlorophenyl)-5-ethyl-1,3-thiazol-2-yl]-6-nitro-2H-1-benzopyran-2-one |
Molecular Weight: | 412.85 |
Molecular Formula: | C20 H13 Cl N2 O4 S |
Smiles: | CCc1c(c2ccc(cc2)[Cl])nc(C2=Cc3cc(ccc3OC2=O)[N+]([O-])=O)s1 |
Stereo: | ACHIRAL |
logP: | 5.9258 |
logD: | 5.9258 |
logSw: | -6.1955 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 64.774 |
InChI Key: | QSUZCUAHLCPQCY-UHFFFAOYSA-N |