8-{[bis(2-methylpropyl)amino]methyl}-7-hydroxy-3-(4-methoxyphenoxy)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
8-{[bis(2-methylpropyl)amino]methyl}-7-hydroxy-3-(4-methoxyphenoxy)-4H-1-benzopyran-4-one
8-{[bis(2-methylpropyl)amino]methyl}-7-hydroxy-3-(4-methoxyphenoxy)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 3057-1729 |
| Compound Name: | 8-{[bis(2-methylpropyl)amino]methyl}-7-hydroxy-3-(4-methoxyphenoxy)-4H-1-benzopyran-4-one |
| Molecular Weight: | 425.52 |
| Molecular Formula: | C25 H31 N O5 |
| Smiles: | CC(C)CN(CC(C)C)Cc1c(ccc2C(C(=COc12)Oc1ccc(cc1)OC)=O)O |
| Stereo: | ACHIRAL |
| logP: | 5.4041 |
| logD: | 4.885 |
| logSw: | -5.23 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.329 |
| InChI Key: | VNUFJZWURVBMAU-UHFFFAOYSA-N |