5-[(4-tert-butylphenyl)methoxy]-2-{[4-(2,5-dichloropyridine-3-carbonyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one
Chemical Structure Depiction of
5-[(4-tert-butylphenyl)methoxy]-2-{[4-(2,5-dichloropyridine-3-carbonyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one
5-[(4-tert-butylphenyl)methoxy]-2-{[4-(2,5-dichloropyridine-3-carbonyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V006-3719 |
| Compound Name: | 5-[(4-tert-butylphenyl)methoxy]-2-{[4-(2,5-dichloropyridine-3-carbonyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one |
| Molecular Weight: | 544.48 |
| Molecular Formula: | C28 H31 Cl2 N3 O4 |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1ccc(COC2=COC(CN3CCCN(CC3)C(c3cc(cnc3[Cl])[Cl])=O)=CC2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8477 |
| logD: | 4.8444 |
| logSw: | -4.8001 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.445 |
| InChI Key: | ZSFXSEHPIYXFME-UHFFFAOYSA-N |