2-{[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,4-diazepan-1-yl]methyl}-5-[(3-methoxyphenyl)methoxy]-4H-pyran-4-one
Chemical Structure Depiction of
2-{[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,4-diazepan-1-yl]methyl}-5-[(3-methoxyphenyl)methoxy]-4H-pyran-4-one
2-{[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,4-diazepan-1-yl]methyl}-5-[(3-methoxyphenyl)methoxy]-4H-pyran-4-one
Compound characteristics
| Compound ID: | V030-9573 |
| Compound Name: | 2-{[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,4-diazepan-1-yl]methyl}-5-[(3-methoxyphenyl)methoxy]-4H-pyran-4-one |
| Molecular Weight: | 467.52 |
| Molecular Formula: | C25 H29 N3 O6 |
| Smiles: | Cc1c(C(N2CCCN(CC2)CC2=CC(C(=CO2)OCc2cccc(c2)OC)=O)=O)c(C)on1 |
| Stereo: | ACHIRAL |
| logP: | 1.9151 |
| logD: | 1.9117 |
| logSw: | -2.313 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.252 |
| InChI Key: | UHFDVXXIOWLOAX-UHFFFAOYSA-N |