3-(4-methylpiperazin-1-yl)-5-[(2-methylpropyl)amino]-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
3-(4-methylpiperazin-1-yl)-5-[(2-methylpropyl)amino]-6H-anthra[1,9-cd][1,2]oxazol-6-one
3-(4-methylpiperazin-1-yl)-5-[(2-methylpropyl)amino]-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C620-0227 |
| Compound Name: | 3-(4-methylpiperazin-1-yl)-5-[(2-methylpropyl)amino]-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 390.48 |
| Molecular Formula: | C23 H26 N4 O2 |
| Smiles: | CC(C)CNc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCN(C)CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.581 |
| logD: | 4.2503 |
| logSw: | -4.6243 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.617 |
| InChI Key: | YQQGUSREJQAFLK-UHFFFAOYSA-N |