3-[4-(2,5-dichlorophenyl)piperazine-1-carbonyl]-6-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[4-(2,5-dichlorophenyl)piperazine-1-carbonyl]-6-methoxy-2H-1-benzopyran-2-one
3-[4-(2,5-dichlorophenyl)piperazine-1-carbonyl]-6-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 8014-8843 |
| Compound Name: | 3-[4-(2,5-dichlorophenyl)piperazine-1-carbonyl]-6-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 433.29 |
| Molecular Formula: | C21 H18 Cl2 N2 O4 |
| Smiles: | COc1ccc2c(C=C(C(N3CCN(CC3)c3cc(ccc3[Cl])[Cl])=O)C(=O)O2)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.9757 |
| logD: | 3.9757 |
| logSw: | -4.5191 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.312 |
| InChI Key: | XIRFACLOTGALLH-UHFFFAOYSA-N |