5-[(4-tert-butylphenyl)methoxy]-2-{[4-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one
Chemical Structure Depiction of
5-[(4-tert-butylphenyl)methoxy]-2-{[4-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one
5-[(4-tert-butylphenyl)methoxy]-2-{[4-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V006-3920 |
| Compound Name: | 5-[(4-tert-butylphenyl)methoxy]-2-{[4-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one |
| Molecular Weight: | 532.64 |
| Molecular Formula: | C31 H36 N2 O6 |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1ccc(COC2=COC(CN3CCCN(CC3)C(C3COc4ccccc4O3)=O)=CC2=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5911 |
| logD: | 4.5628 |
| logSw: | -4.5266 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.107 |
| InChI Key: | OVJUMBLGICXSTC-LJAQVGFWSA-N |