3-(azepan-1-yl)-5-{[(furan-2-yl)methyl]amino}-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
3-(azepan-1-yl)-5-{[(furan-2-yl)methyl]amino}-6H-anthra[1,9-cd][1,2]oxazol-6-one
3-(azepan-1-yl)-5-{[(furan-2-yl)methyl]amino}-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C620-0450 |
| Compound Name: | 3-(azepan-1-yl)-5-{[(furan-2-yl)methyl]amino}-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 413.48 |
| Molecular Formula: | C25 H23 N3 O3 |
| Smiles: | C1CCCN(CC1)c1cc(c2C(c3ccccc3c3c2c1no3)=O)NCc1ccco1 |
| Stereo: | ACHIRAL |
| logP: | 6.226 |
| logD: | 6.226 |
| logSw: | -6.0738 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.949 |
| InChI Key: | PBXFYXAMLBIFIG-UHFFFAOYSA-N |