5-(benzylamino)-3-(4-ethylpiperazin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
5-(benzylamino)-3-(4-ethylpiperazin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-6-one
5-(benzylamino)-3-(4-ethylpiperazin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C620-0417 |
| Compound Name: | 5-(benzylamino)-3-(4-ethylpiperazin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 438.53 |
| Molecular Formula: | C27 H26 N4 O2 |
| Smiles: | CCN1CCN(CC1)c1cc(c2C(c3ccccc3c3c2c1no3)=O)NCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.1422 |
| logD: | 4.7228 |
| logSw: | -5.1979 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.406 |
| InChI Key: | JNRDAIVOELPSCA-UHFFFAOYSA-N |