3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-5-(3,4,5-trimethoxyanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-5-(3,4,5-trimethoxyanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-5-(3,4,5-trimethoxyanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C090-0390 |
| Compound Name: | 3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-5-(3,4,5-trimethoxyanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 641.12 |
| Molecular Formula: | C35 H33 Cl N4 O6 |
| Smiles: | COc1cc(cc(c1OC)OC)Nc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCN(CC1)CCOc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 7.2757 |
| logD: | 7.2536 |
| logSw: | -6.484 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.461 |
| InChI Key: | CECITXSEISUPAS-UHFFFAOYSA-N |