3-[4-(3-chloro-4-methylphenyl)piperazine-1-carbonyl]-8-methoxy-6-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[4-(3-chloro-4-methylphenyl)piperazine-1-carbonyl]-8-methoxy-6-nitro-2H-1-benzopyran-2-one
3-[4-(3-chloro-4-methylphenyl)piperazine-1-carbonyl]-8-methoxy-6-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 8015-1284 |
| Compound Name: | 3-[4-(3-chloro-4-methylphenyl)piperazine-1-carbonyl]-8-methoxy-6-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 457.87 |
| Molecular Formula: | C22 H20 Cl N3 O6 |
| Smiles: | Cc1ccc(cc1[Cl])N1CCN(CC1)C(C1=Cc2cc(cc(c2OC1=O)OC)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8663 |
| logD: | 3.8663 |
| logSw: | -4.4009 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.765 |
| InChI Key: | ZWVUMROGKKDYCX-UHFFFAOYSA-N |