3-(azepan-1-yl)-5-(4-methoxyanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
3-(azepan-1-yl)-5-(4-methoxyanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
3-(azepan-1-yl)-5-(4-methoxyanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C090-0046 |
| Compound Name: | 3-(azepan-1-yl)-5-(4-methoxyanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 439.51 |
| Molecular Formula: | C27 H25 N3 O3 |
| Smiles: | COc1ccc(cc1)Nc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 7.1818 |
| logD: | 7.1818 |
| logSw: | -5.9459 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.422 |
| InChI Key: | ZJKUCYIESXRCQW-UHFFFAOYSA-N |