3-bromo-5-{[3-(dimethylamino)propyl]amino}-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
3-bromo-5-{[3-(dimethylamino)propyl]amino}-6H-anthra[1,9-cd][1,2]oxazol-6-one
3-bromo-5-{[3-(dimethylamino)propyl]amino}-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | 8018-0700 |
| Compound Name: | 3-bromo-5-{[3-(dimethylamino)propyl]amino}-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 400.27 |
| Molecular Formula: | C19 H18 Br N3 O2 |
| Smiles: | CN(C)CCCNc1cc(c2c3c1C(c1ccccc1c3on2)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.9511 |
| logD: | 2.1638 |
| logSw: | -4.361 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.696 |
| InChI Key: | WKYLCHAVFNIHMP-UHFFFAOYSA-N |