5-[(4-tert-butylphenyl)methoxy]-2-[(4-{2-[(4-chlorophenyl)sulfanyl]pyridine-3-carbonyl}piperazin-1-yl)methyl]-4H-pyran-4-one
Chemical Structure Depiction of
5-[(4-tert-butylphenyl)methoxy]-2-[(4-{2-[(4-chlorophenyl)sulfanyl]pyridine-3-carbonyl}piperazin-1-yl)methyl]-4H-pyran-4-one
5-[(4-tert-butylphenyl)methoxy]-2-[(4-{2-[(4-chlorophenyl)sulfanyl]pyridine-3-carbonyl}piperazin-1-yl)methyl]-4H-pyran-4-one
Compound characteristics
| Compound ID: | V009-0242 |
| Compound Name: | 5-[(4-tert-butylphenyl)methoxy]-2-[(4-{2-[(4-chlorophenyl)sulfanyl]pyridine-3-carbonyl}piperazin-1-yl)methyl]-4H-pyran-4-one |
| Molecular Weight: | 604.17 |
| Molecular Formula: | C33 H34 Cl N3 O4 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1ccc(COC2=COC(CN3CCN(CC3)C(c3cccnc3Sc3ccc(cc3)[Cl])=O)=CC2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.0651 |
| logD: | 6.0648 |
| logSw: | -6.1056 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 59.247 |
| InChI Key: | WSCQOPDCTAJGDJ-UHFFFAOYSA-N |