3-(butylamino)-5-(3-methylanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
3-(butylamino)-5-(3-methylanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
3-(butylamino)-5-(3-methylanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | 8016-8399 |
| Compound Name: | 3-(butylamino)-5-(3-methylanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 397.48 |
| Molecular Formula: | C25 H23 N3 O2 |
| Smiles: | CCCCNc1cc(c2C(c3ccccc3c3c2c1no3)=O)Nc1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.9773 |
| logD: | 6.9773 |
| logSw: | -6.0056 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.045 |
| InChI Key: | ZZKUGRYVWRXGGL-UHFFFAOYSA-N |