3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-5-{[3-(dimethylamino)propyl]amino}-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-5-{[3-(dimethylamino)propyl]amino}-6H-anthra[1,9-cd][1,2]oxazol-6-one
3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-5-{[3-(dimethylamino)propyl]amino}-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C620-0697 |
| Compound Name: | 3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-5-{[3-(dimethylamino)propyl]amino}-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 470.53 |
| Molecular Formula: | C27 H26 N4 O4 |
| Smiles: | CN(C)CCCNc1cc(c2c3c1C(c1ccccc1c3on2)=O)NCc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 4.3359 |
| logD: | 2.5485 |
| logSw: | -4.5219 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.349 |
| InChI Key: | FWUKLNGEDCGJCF-UHFFFAOYSA-N |