4-(4-methylphenyl)-3-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1H-2-benzopyran-1-one
Chemical Structure Depiction of
4-(4-methylphenyl)-3-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1H-2-benzopyran-1-one
4-(4-methylphenyl)-3-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1H-2-benzopyran-1-one
Compound characteristics
Compound ID: | K953-0116 |
Compound Name: | 4-(4-methylphenyl)-3-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1H-2-benzopyran-1-one |
Molecular Weight: | 469.5 |
Molecular Formula: | C27 H23 N3 O5 |
Smiles: | Cc1ccc(cc1)C1=C(C(N2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)=O)OC(c2ccccc12)=O |
Stereo: | ACHIRAL |
logP: | 4.6424 |
logD: | 4.6424 |
logSw: | -4.5851 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 74.258 |
InChI Key: | ZYTGDBLKNZOGQQ-UHFFFAOYSA-N |