3-(4-cyclohexylpiperazin-1-yl)-5-(3,4,5-trimethoxyanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
3-(4-cyclohexylpiperazin-1-yl)-5-(3,4,5-trimethoxyanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
3-(4-cyclohexylpiperazin-1-yl)-5-(3,4,5-trimethoxyanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C090-0126 |
| Compound Name: | 3-(4-cyclohexylpiperazin-1-yl)-5-(3,4,5-trimethoxyanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 568.67 |
| Molecular Formula: | C33 H36 N4 O5 |
| Smiles: | COc1cc(cc(c1OC)OC)Nc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCN(CC1)C1CCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 6.7412 |
| logD: | 6.3478 |
| logSw: | -5.9248 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.618 |
| InChI Key: | JABDERDNUIOTDP-UHFFFAOYSA-N |