2-{[4-(2,5-dibromo-3,6-difluorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-5-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one
Chemical Structure Depiction of
2-{[4-(2,5-dibromo-3,6-difluorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-5-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one
2-{[4-(2,5-dibromo-3,6-difluorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-5-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V008-3995 |
| Compound Name: | 2-{[4-(2,5-dibromo-3,6-difluorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-5-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one |
| Molecular Weight: | 694.41 |
| Molecular Formula: | C25 H24 Br2 F2 N2 O5 S2 |
| Salt: | not_available |
| Smiles: | CSc1ccc(COC2=COC(CN3CCCN(CC3)S(c3c(c(cc(c3[Br])F)[Br])F)(=O)=O)=CC2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0997 |
| logD: | 5.0994 |
| logSw: | -5.0114 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 65.733 |
| InChI Key: | DJAMOLUZLYLTNH-UHFFFAOYSA-N |