2-{[4-(4-bromo-2-ethylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-5-[(4-tert-butylphenyl)methoxy]-4H-pyran-4-one
Chemical Structure Depiction of
2-{[4-(4-bromo-2-ethylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-5-[(4-tert-butylphenyl)methoxy]-4H-pyran-4-one
2-{[4-(4-bromo-2-ethylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-5-[(4-tert-butylphenyl)methoxy]-4H-pyran-4-one
Compound characteristics
| Compound ID: | V008-4017 |
| Compound Name: | 2-{[4-(4-bromo-2-ethylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-5-[(4-tert-butylphenyl)methoxy]-4H-pyran-4-one |
| Molecular Weight: | 617.6 |
| Molecular Formula: | C30 H37 Br N2 O5 S |
| Salt: | not_available |
| Smiles: | CCc1cc(ccc1S(N1CCCN(CC1)CC1=CC(C(=CO1)OCc1ccc(cc1)C(C)(C)C)=O)(=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 6.151 |
| logD: | 6.1507 |
| logSw: | -5.3795 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 65.733 |
| InChI Key: | ZFCDWAGAORTVAU-UHFFFAOYSA-N |