3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-5-{[3-(dimethylamino)propyl]amino}-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-5-{[3-(dimethylamino)propyl]amino}-6H-anthra[1,9-cd][1,2]oxazol-6-one
3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-5-{[3-(dimethylamino)propyl]amino}-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C620-0701 |
| Compound Name: | 3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-5-{[3-(dimethylamino)propyl]amino}-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 560.1 |
| Molecular Formula: | C31 H34 Cl N5 O3 |
| Smiles: | CN(C)CCCNc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCN(CC1)CCOc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.799 |
| logD: | 4.0116 |
| logSw: | -6.0832 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.784 |
| InChI Key: | XZOSOHOTCTWDRE-UHFFFAOYSA-N |