5-[(4-tert-butylphenyl)methoxy]-2-{[4-(2,6-dichlorobenzoyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one
Chemical Structure Depiction of
5-[(4-tert-butylphenyl)methoxy]-2-{[4-(2,6-dichlorobenzoyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one
5-[(4-tert-butylphenyl)methoxy]-2-{[4-(2,6-dichlorobenzoyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V008-4362 |
| Compound Name: | 5-[(4-tert-butylphenyl)methoxy]-2-{[4-(2,6-dichlorobenzoyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one |
| Molecular Weight: | 543.49 |
| Molecular Formula: | C29 H32 Cl2 N2 O4 |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1ccc(COC2=COC(CN3CCCN(CC3)C(c3c(cccc3[Cl])[Cl])=O)=CC2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.3752 |
| logD: | 5.3718 |
| logSw: | -6.1152 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.67 |
| InChI Key: | QHIAAQZKQIKZIQ-UHFFFAOYSA-N |