3-(4-ethylpiperazin-1-yl)-5-(3,4,5-trimethoxyanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
3-(4-ethylpiperazin-1-yl)-5-(3,4,5-trimethoxyanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
3-(4-ethylpiperazin-1-yl)-5-(3,4,5-trimethoxyanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C090-0306 |
| Compound Name: | 3-(4-ethylpiperazin-1-yl)-5-(3,4,5-trimethoxyanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 514.58 |
| Molecular Formula: | C29 H30 N4 O5 |
| Smiles: | CCN1CCN(CC1)c1cc(c2C(c3ccccc3c3c2c1no3)=O)Nc1cc(c(c(c1)OC)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 5.2469 |
| logD: | 4.8274 |
| logSw: | -5.2436 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.062 |
| InChI Key: | XFNXYXQRVIVOSF-UHFFFAOYSA-N |