7-methyl-4-{[4-(5-nitrofuran-2-carbonyl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-methyl-4-{[4-(5-nitrofuran-2-carbonyl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one
7-methyl-4-{[4-(5-nitrofuran-2-carbonyl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one
Compound characteristics
Compound ID: | D222-0163 |
Compound Name: | 7-methyl-4-{[4-(5-nitrofuran-2-carbonyl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one |
Molecular Weight: | 397.39 |
Molecular Formula: | C20 H19 N3 O6 |
Smiles: | Cc1ccc2C(CN3CCN(CC3)C(c3ccc([N+]([O-])=O)o3)=O)=CC(=O)Oc2c1 |
Stereo: | ACHIRAL |
logP: | 1.9575 |
logD: | 1.9563 |
logSw: | -2.8634 |
Hydrogen bond acceptors count: | 11 |
Polar surface area: | 83.495 |
InChI Key: | ULKSXRRWOOOINV-UHFFFAOYSA-N |