3-(azepan-1-yl)-5-[(2H-1,3-benzodioxol-5-yl)amino]-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
3-(azepan-1-yl)-5-[(2H-1,3-benzodioxol-5-yl)amino]-6H-anthra[1,9-cd][1,2]oxazol-6-one
3-(azepan-1-yl)-5-[(2H-1,3-benzodioxol-5-yl)amino]-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C090-0043 |
| Compound Name: | 3-(azepan-1-yl)-5-[(2H-1,3-benzodioxol-5-yl)amino]-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 453.5 |
| Molecular Formula: | C27 H23 N3 O4 |
| Smiles: | C1CCCN(CC1)c1cc(c2C(c3ccccc3c3c2c1no3)=O)Nc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 7.0325 |
| logD: | 7.0325 |
| logSw: | -6.2709 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.993 |
| InChI Key: | HVPIPZQNEPDLMY-UHFFFAOYSA-N |