3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5-(3,4,5-trimethoxyanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5-(3,4,5-trimethoxyanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5-(3,4,5-trimethoxyanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C090-0270 |
| Compound Name: | 3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5-(3,4,5-trimethoxyanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 620.66 |
| Molecular Formula: | C35 H32 N4 O7 |
| Smiles: | COc1cc(cc(c1OC)OC)Nc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 6.2716 |
| logD: | 5.824 |
| logSw: | -5.8586 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.181 |
| InChI Key: | PXFWYPVKBKORBT-UHFFFAOYSA-N |