6-methoxy-4-{[4-(5-nitrofuran-2-carbonyl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-methoxy-4-{[4-(5-nitrofuran-2-carbonyl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one
6-methoxy-4-{[4-(5-nitrofuran-2-carbonyl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D222-0137 |
| Compound Name: | 6-methoxy-4-{[4-(5-nitrofuran-2-carbonyl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one |
| Molecular Weight: | 413.39 |
| Molecular Formula: | C20 H19 N3 O7 |
| Smiles: | COc1ccc2c(c1)C(CN1CCN(CC1)C(c1ccc([N+]([O-])=O)o1)=O)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 1.4611 |
| logD: | 1.4605 |
| logSw: | -2.4355 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 91.039 |
| InChI Key: | GKHGKAPPFPQQCR-UHFFFAOYSA-N |