N-{4-[4-({5-[(4-tert-butylphenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)-1,4-diazepane-1-carbonyl]phenyl}acetamide
Chemical Structure Depiction of
N-{4-[4-({5-[(4-tert-butylphenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)-1,4-diazepane-1-carbonyl]phenyl}acetamide
N-{4-[4-({5-[(4-tert-butylphenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)-1,4-diazepane-1-carbonyl]phenyl}acetamide
Compound characteristics
| Compound ID: | V006-3680 |
| Compound Name: | N-{4-[4-({5-[(4-tert-butylphenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)-1,4-diazepane-1-carbonyl]phenyl}acetamide |
| Molecular Weight: | 531.65 |
| Molecular Formula: | C31 H37 N3 O5 |
| Salt: | not_available |
| Smiles: | CC(Nc1ccc(cc1)C(N1CCCN(CC1)CC1=CC(C(=CO1)OCc1ccc(cc1)C(C)(C)C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6565 |
| logD: | 3.653 |
| logSw: | -3.7105 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.932 |
| InChI Key: | WKQIDRDMMAYRGE-UHFFFAOYSA-N |