5-[(2-chlorophenyl)methoxy]-2-[(4-{2-[(4-chlorophenyl)sulfanyl]pyridine-3-carbonyl}piperazin-1-yl)methyl]-4H-pyran-4-one
Chemical Structure Depiction of
5-[(2-chlorophenyl)methoxy]-2-[(4-{2-[(4-chlorophenyl)sulfanyl]pyridine-3-carbonyl}piperazin-1-yl)methyl]-4H-pyran-4-one
5-[(2-chlorophenyl)methoxy]-2-[(4-{2-[(4-chlorophenyl)sulfanyl]pyridine-3-carbonyl}piperazin-1-yl)methyl]-4H-pyran-4-one
Compound characteristics
| Compound ID: | V007-9283 |
| Compound Name: | 5-[(2-chlorophenyl)methoxy]-2-[(4-{2-[(4-chlorophenyl)sulfanyl]pyridine-3-carbonyl}piperazin-1-yl)methyl]-4H-pyran-4-one |
| Molecular Weight: | 582.51 |
| Molecular Formula: | C29 H25 Cl2 N3 O4 S |
| Salt: | not_available |
| Smiles: | C1CN(CCN1CC1=CC(C(=CO1)OCc1ccccc1[Cl])=O)C(c1cccnc1Sc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7454 |
| logD: | 4.7451 |
| logSw: | -4.8679 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 59.247 |
| InChI Key: | JTDRKVDNWHSFOB-UHFFFAOYSA-N |