2-[4-(4-nitrophenyl)piperazine-1-carbonyl]-4H-thieno[3,2-c][1]benzopyran-4-one
Chemical Structure Depiction of
2-[4-(4-nitrophenyl)piperazine-1-carbonyl]-4H-thieno[3,2-c][1]benzopyran-4-one
2-[4-(4-nitrophenyl)piperazine-1-carbonyl]-4H-thieno[3,2-c][1]benzopyran-4-one
Compound characteristics
| Compound ID: | C186-0032 |
| Compound Name: | 2-[4-(4-nitrophenyl)piperazine-1-carbonyl]-4H-thieno[3,2-c][1]benzopyran-4-one |
| Molecular Weight: | 435.46 |
| Molecular Formula: | C22 H17 N3 O5 S |
| Smiles: | C1CN(CCN1C(c1cc2C(=O)Oc3ccccc3c2s1)=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2586 |
| logD: | 4.2586 |
| logSw: | -4.3995 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.197 |
| InChI Key: | NPNMAMMWLCAMFA-UHFFFAOYSA-N |