5-[4-(dimethylamino)anilino]-3-(4-methylpiperazin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
5-[4-(dimethylamino)anilino]-3-(4-methylpiperazin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-6-one
5-[4-(dimethylamino)anilino]-3-(4-methylpiperazin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C090-0167 |
| Compound Name: | 5-[4-(dimethylamino)anilino]-3-(4-methylpiperazin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 453.54 |
| Molecular Formula: | C27 H27 N5 O2 |
| Smiles: | CN1CCN(CC1)c1cc(c2C(c3ccccc3c3c2c1no3)=O)Nc1ccc(cc1)N(C)C |
| Stereo: | ACHIRAL |
| logP: | 5.6116 |
| logD: | 5.2809 |
| logSw: | -5.7628 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.828 |
| InChI Key: | GTRYNEORHIVIJE-UHFFFAOYSA-N |