2-{[4-(5-bromo-2-methoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-5-[(4-tert-butylphenyl)methoxy]-4H-pyran-4-one
Chemical Structure Depiction of
2-{[4-(5-bromo-2-methoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-5-[(4-tert-butylphenyl)methoxy]-4H-pyran-4-one
2-{[4-(5-bromo-2-methoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-5-[(4-tert-butylphenyl)methoxy]-4H-pyran-4-one
Compound characteristics
| Compound ID: | V008-0798 |
| Compound Name: | 2-{[4-(5-bromo-2-methoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-5-[(4-tert-butylphenyl)methoxy]-4H-pyran-4-one |
| Molecular Weight: | 619.58 |
| Molecular Formula: | C29 H35 Br N2 O6 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1ccc(COC2=COC(CN3CCCN(CC3)S(c3cc(ccc3OC)[Br])(=O)=O)=CC2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2153 |
| logD: | 5.215 |
| logSw: | -5.0492 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 73.363 |
| InChI Key: | JAVBMAPKDFOHQW-UHFFFAOYSA-N |