2-{[4-(3-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one
Chemical Structure Depiction of
2-{[4-(3-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one
2-{[4-(3-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V008-4342 |
| Compound Name: | 2-{[4-(3-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one |
| Molecular Weight: | 500.64 |
| Molecular Formula: | C25 H28 N2 O5 S2 |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)S(N1CCN(CC1)CC1=CC(C(=CO1)OCc1ccc(cc1)SC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8023 |
| logD: | 3.8021 |
| logSw: | -3.8494 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 65.402 |
| InChI Key: | VLHGWGRJWIIWEP-UHFFFAOYSA-N |