ethyl 4-{5-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-3-yl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{5-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-3-yl}piperazine-1-carboxylate
ethyl 4-{5-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-3-yl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C090-0032 |
| Compound Name: | ethyl 4-{5-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-3-yl}piperazine-1-carboxylate |
| Molecular Weight: | 526.55 |
| Molecular Formula: | C29 H26 N4 O6 |
| Smiles: | CCOC(N1CCN(CC1)c1cc(c2C(c3ccccc3c3c2c1no3)=O)Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2139 |
| logD: | 5.2139 |
| logSw: | -5.2191 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.15 |
| InChI Key: | ZPJZEBDVVNOTJM-UHFFFAOYSA-N |