2-{[4-([1,1'-biphenyl]-3-sulfonyl)-1,4-diazepan-1-yl]methyl}-5-[(4-tert-butylphenyl)methoxy]-4H-pyran-4-one
Chemical Structure Depiction of
2-{[4-([1,1'-biphenyl]-3-sulfonyl)-1,4-diazepan-1-yl]methyl}-5-[(4-tert-butylphenyl)methoxy]-4H-pyran-4-one
2-{[4-([1,1'-biphenyl]-3-sulfonyl)-1,4-diazepan-1-yl]methyl}-5-[(4-tert-butylphenyl)methoxy]-4H-pyran-4-one
Compound characteristics
| Compound ID: | V006-6267 |
| Compound Name: | 2-{[4-([1,1'-biphenyl]-3-sulfonyl)-1,4-diazepan-1-yl]methyl}-5-[(4-tert-butylphenyl)methoxy]-4H-pyran-4-one |
| Molecular Weight: | 586.75 |
| Molecular Formula: | C34 H38 N2 O5 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1ccc(COC2=COC(CN3CCCN(CC3)S(c3cccc(c3)c3ccccc3)(=O)=O)=CC2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.426 |
| logD: | 6.4257 |
| logSw: | -5.7317 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 65.461 |
| InChI Key: | OVVKMMIXDSNWAD-UHFFFAOYSA-N |