2-{[4-(4-tert-butylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-5-[(4-tert-butylphenyl)methoxy]-4H-pyran-4-one
Chemical Structure Depiction of
2-{[4-(4-tert-butylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-5-[(4-tert-butylphenyl)methoxy]-4H-pyran-4-one
2-{[4-(4-tert-butylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-5-[(4-tert-butylphenyl)methoxy]-4H-pyran-4-one
Compound characteristics
| Compound ID: | V008-0738 |
| Compound Name: | 2-{[4-(4-tert-butylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-5-[(4-tert-butylphenyl)methoxy]-4H-pyran-4-one |
| Molecular Weight: | 566.76 |
| Molecular Formula: | C32 H42 N2 O5 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1ccc(COC2=COC(CN3CCCN(CC3)S(c3ccc(cc3)C(C)(C)C)(=O)=O)=CC2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.4781 |
| logD: | 6.4778 |
| logSw: | -5.602 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 65.733 |
| InChI Key: | MCSCIZBSSLJNDW-UHFFFAOYSA-N |