2-{[4-(1-benzyl-3-tert-butyl-1H-pyrazole-5-carbonyl)-1,4-diazepan-1-yl]methyl}-5-[(4-tert-butylphenyl)methoxy]-4H-pyran-4-one
Chemical Structure Depiction of
2-{[4-(1-benzyl-3-tert-butyl-1H-pyrazole-5-carbonyl)-1,4-diazepan-1-yl]methyl}-5-[(4-tert-butylphenyl)methoxy]-4H-pyran-4-one
2-{[4-(1-benzyl-3-tert-butyl-1H-pyrazole-5-carbonyl)-1,4-diazepan-1-yl]methyl}-5-[(4-tert-butylphenyl)methoxy]-4H-pyran-4-one
Compound characteristics
| Compound ID: | V006-9828 |
| Compound Name: | 2-{[4-(1-benzyl-3-tert-butyl-1H-pyrazole-5-carbonyl)-1,4-diazepan-1-yl]methyl}-5-[(4-tert-butylphenyl)methoxy]-4H-pyran-4-one |
| Molecular Weight: | 610.8 |
| Molecular Formula: | C37 H46 N4 O4 |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1ccc(COC2=COC(CN3CCCN(CC3)C(c3cc(C(C)(C)C)nn3Cc3ccccc3)=O)=CC2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.3048 |
| logD: | 6.2976 |
| logSw: | -5.5386 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.629 |
| InChI Key: | OGTYAHZWIHWANJ-UHFFFAOYSA-N |