2-{[4-(3,5-dichlorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-5-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one
Chemical Structure Depiction of
2-{[4-(3,5-dichlorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-5-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one
2-{[4-(3,5-dichlorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-5-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V007-1619 |
| Compound Name: | 2-{[4-(3,5-dichlorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-5-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one |
| Molecular Weight: | 569.53 |
| Molecular Formula: | C25 H26 Cl2 N2 O5 S2 |
| Salt: | not_available |
| Smiles: | CSc1ccc(COC2=COC(CN3CCCN(CC3)S(c3cc(cc(c3)[Cl])[Cl])(=O)=O)=CC2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7373 |
| logD: | 4.737 |
| logSw: | -4.7737 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 65.733 |
| InChI Key: | XSOXREFUQSYGGH-UHFFFAOYSA-N |