5-(benzylamino)-3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
5-(benzylamino)-3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-6-one
5-(benzylamino)-3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C620-0393 |
| Compound Name: | 5-(benzylamino)-3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 565.07 |
| Molecular Formula: | C33 H29 Cl N4 O3 |
| Smiles: | C(c1ccccc1)Nc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCN(CC1)CCOc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 7.1711 |
| logD: | 7.1489 |
| logSw: | -6.6677 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.806 |
| InChI Key: | LQIHWMJWIBLFAK-UHFFFAOYSA-N |