3-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-8-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-8-methoxy-2H-1-benzopyran-2-one
3-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-8-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 8016-0328 |
| Compound Name: | 3-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-8-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 433.29 |
| Molecular Formula: | C21 H18 Cl2 N2 O4 |
| Smiles: | COc1cccc2C=C(C(N3CCN(CC3)c3ccc(c(c3)[Cl])[Cl])=O)C(=O)Oc12 |
| Stereo: | ACHIRAL |
| logP: | 3.9552 |
| logD: | 3.9552 |
| logSw: | -4.3711 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.383 |
| InChI Key: | LBOVAWITOIQVAT-UHFFFAOYSA-N |