3-[4-(4-ethylphenyl)piperazine-1-carbonyl]-6-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[4-(4-ethylphenyl)piperazine-1-carbonyl]-6-nitro-2H-1-benzopyran-2-one
3-[4-(4-ethylphenyl)piperazine-1-carbonyl]-6-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 8016-8190 |
| Compound Name: | 3-[4-(4-ethylphenyl)piperazine-1-carbonyl]-6-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 407.42 |
| Molecular Formula: | C22 H21 N3 O5 |
| Smiles: | CCc1ccc(cc1)N1CCN(CC1)C(C1=Cc2cc(ccc2OC1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7405 |
| logD: | 3.7405 |
| logSw: | -3.9953 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.45 |
| InChI Key: | FTVSFPUCQLHUMH-UHFFFAOYSA-N |