3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-8-methoxy-6-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-8-methoxy-6-nitro-2H-1-benzopyran-2-one
3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-8-methoxy-6-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 8017-4505 |
| Compound Name: | 3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-8-methoxy-6-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 427.37 |
| Molecular Formula: | C20 H17 N3 O8 |
| Smiles: | COc1cc(cc2C=C(C(N3CCN(CC3)C(c3ccco3)=O)=O)C(=O)Oc12)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.2402 |
| logD: | 1.2402 |
| logSw: | -2.1014 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 103.539 |
| InChI Key: | GUMLWFGIYCPIPG-UHFFFAOYSA-N |