5-[(4-tert-butylphenyl)methoxy]-2-({4-[2-(propylsulfanyl)pyridine-3-carbonyl]-1,4-diazepan-1-yl}methyl)-4H-pyran-4-one
Chemical Structure Depiction of
5-[(4-tert-butylphenyl)methoxy]-2-({4-[2-(propylsulfanyl)pyridine-3-carbonyl]-1,4-diazepan-1-yl}methyl)-4H-pyran-4-one
5-[(4-tert-butylphenyl)methoxy]-2-({4-[2-(propylsulfanyl)pyridine-3-carbonyl]-1,4-diazepan-1-yl}methyl)-4H-pyran-4-one
Compound characteristics
| Compound ID: | V007-1476 |
| Compound Name: | 5-[(4-tert-butylphenyl)methoxy]-2-({4-[2-(propylsulfanyl)pyridine-3-carbonyl]-1,4-diazepan-1-yl}methyl)-4H-pyran-4-one |
| Molecular Weight: | 549.73 |
| Molecular Formula: | C31 H39 N3 O4 S |
| Salt: | not_available |
| Smiles: | CCCSc1c(cccn1)C(N1CCCN(CC1)CC1=CC(C(=CO1)OCc1ccc(cc1)C(C)(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9073 |
| logD: | 4.904 |
| logSw: | -4.5644 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 59.85 |
| InChI Key: | AFRIWLOIWREKOB-UHFFFAOYSA-N |