3-bromo-5-(2,4,6-trimethylanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
3-bromo-5-(2,4,6-trimethylanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
3-bromo-5-(2,4,6-trimethylanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C620-0661 |
| Compound Name: | 3-bromo-5-(2,4,6-trimethylanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 433.3 |
| Molecular Formula: | C23 H17 Br N2 O2 |
| Smiles: | Cc1cc(C)c(c(C)c1)Nc1cc(c2c3c1C(c1ccccc1c3on2)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 6.5483 |
| logD: | 6.5483 |
| logSw: | -6.0016 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42 |
| InChI Key: | AQYYOJVIOSWSNU-UHFFFAOYSA-N |