3-[4-(3-chloro-4-methylphenyl)piperazine-1-carbonyl]-6-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[4-(3-chloro-4-methylphenyl)piperazine-1-carbonyl]-6-methoxy-2H-1-benzopyran-2-one
3-[4-(3-chloro-4-methylphenyl)piperazine-1-carbonyl]-6-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 8013-2264 |
| Compound Name: | 3-[4-(3-chloro-4-methylphenyl)piperazine-1-carbonyl]-6-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 412.87 |
| Molecular Formula: | C22 H21 Cl N2 O4 |
| Smiles: | Cc1ccc(cc1[Cl])N1CCN(CC1)C(C1=Cc2cc(ccc2OC1=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9268 |
| logD: | 3.9268 |
| logSw: | -4.4342 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.612 |
| InChI Key: | SMAQUKFZQCXUON-UHFFFAOYSA-N |