3-(azepan-1-yl)-5-(2,5-dimethylanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
3-(azepan-1-yl)-5-(2,5-dimethylanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
3-(azepan-1-yl)-5-(2,5-dimethylanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C620-0636 |
| Compound Name: | 3-(azepan-1-yl)-5-(2,5-dimethylanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 437.54 |
| Molecular Formula: | C28 H27 N3 O2 |
| Smiles: | Cc1ccc(C)c(c1)Nc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 7.4479 |
| logD: | 7.4479 |
| logSw: | -5.9138 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.18 |
| InChI Key: | YUJBOTFQOXDJBO-UHFFFAOYSA-N |