3-(azepan-1-yl)-5-({2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}amino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
3-(azepan-1-yl)-5-({2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}amino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
3-(azepan-1-yl)-5-({2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}amino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C620-0118 |
| Compound Name: | 3-(azepan-1-yl)-5-({2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}amino)-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 522.65 |
| Molecular Formula: | C31 H34 N6 O2 |
| Smiles: | C1CCCN(CC1)c1cc(c2C(c3ccccc3c3c2c1no3)=O)NCCN1CCN(CC1)c1ccccn1 |
| Stereo: | ACHIRAL |
| logP: | 6.2316 |
| logD: | 6.1322 |
| logSw: | -6.0619 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.796 |
| InChI Key: | DPTFBDQQERKDQV-UHFFFAOYSA-N |