3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-5-[(propan-2-yl)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-[(propan-2-yl)amino]-6H-anthra[1,9-cd][1,2]oxazol-6-one
3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-5-[(propan-2-yl)amino]-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C620-0318 |
| Compound Name: | 3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-5-[(propan-2-yl)amino]-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 517.03 |
| Molecular Formula: | C29 H29 Cl N4 O3 |
| Smiles: | CC(C)Nc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCN(CC1)CCOc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.6252 |
| logD: | 6.6031 |
| logSw: | -6.3529 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.051 |
| InChI Key: | VWRNYIKDFVSKEH-UHFFFAOYSA-N |