N-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl)-beta-alanine
Chemical Structure Depiction of
N-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl)-beta-alanine
N-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl)-beta-alanine
Compound characteristics
| Compound ID: | C090-0551 |
| Compound Name: | N-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl)-beta-alanine |
| Molecular Weight: | 526.55 |
| Molecular Formula: | C29 H26 N4 O6 |
| Smiles: | C(CNc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9137 |
| logD: | 3.9137 |
| logSw: | -4.317 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.022 |
| InChI Key: | JXLQAGPCGKKGDZ-UHFFFAOYSA-N |