5-[(4-tert-butylphenyl)methoxy]-2-{[4-(2,5-dibromo-3,6-difluorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one
Chemical Structure Depiction of
5-[(4-tert-butylphenyl)methoxy]-2-{[4-(2,5-dibromo-3,6-difluorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one
5-[(4-tert-butylphenyl)methoxy]-2-{[4-(2,5-dibromo-3,6-difluorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V008-0810 |
| Compound Name: | 5-[(4-tert-butylphenyl)methoxy]-2-{[4-(2,5-dibromo-3,6-difluorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one |
| Molecular Weight: | 704.43 |
| Molecular Formula: | C28 H30 Br2 F2 N2 O5 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1ccc(COC2=COC(CN3CCCN(CC3)S(c3c(c(cc(c3[Br])F)[Br])F)(=O)=O)=CC2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.1749 |
| logD: | 6.1746 |
| logSw: | -5.4704 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 65.733 |
| InChI Key: | YCIYILQBBPTMBR-UHFFFAOYSA-N |