5-[(2-chlorophenyl)methoxy]-2-{[4-(2,5-dichlorothiophene-3-carbonyl)piperazin-1-yl]methyl}-4H-pyran-4-one
Chemical Structure Depiction of
5-[(2-chlorophenyl)methoxy]-2-{[4-(2,5-dichlorothiophene-3-carbonyl)piperazin-1-yl]methyl}-4H-pyran-4-one
5-[(2-chlorophenyl)methoxy]-2-{[4-(2,5-dichlorothiophene-3-carbonyl)piperazin-1-yl]methyl}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V008-6550 |
| Compound Name: | 5-[(2-chlorophenyl)methoxy]-2-{[4-(2,5-dichlorothiophene-3-carbonyl)piperazin-1-yl]methyl}-4H-pyran-4-one |
| Molecular Weight: | 513.83 |
| Molecular Formula: | C22 H19 Cl3 N2 O4 S |
| Salt: | not_available |
| Smiles: | C1CN(CCN1CC1=CC(C(=CO1)OCc1ccccc1[Cl])=O)C(c1cc(sc1[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9502 |
| logD: | 3.9498 |
| logSw: | -4.2454 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.358 |
| InChI Key: | MPOPQRIBTVFXGB-UHFFFAOYSA-N |