3-(4-methylpiperazin-1-yl)-5-(3,4,5-trimethoxyanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
3-(4-methylpiperazin-1-yl)-5-(3,4,5-trimethoxyanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
3-(4-methylpiperazin-1-yl)-5-(3,4,5-trimethoxyanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C090-0162 |
| Compound Name: | 3-(4-methylpiperazin-1-yl)-5-(3,4,5-trimethoxyanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 500.55 |
| Molecular Formula: | C28 H28 N4 O5 |
| Smiles: | CN1CCN(CC1)c1cc(c2C(c3ccccc3c3c2c1no3)=O)Nc1cc(c(c(c1)OC)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.9022 |
| logD: | 4.5714 |
| logSw: | -4.8449 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.001 |
| InChI Key: | UKUPSRMSSMVNBO-UHFFFAOYSA-N |