3-(benzylamino)-5-(3-methylanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
3-(benzylamino)-5-(3-methylanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
3-(benzylamino)-5-(3-methylanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | 2920-0006 |
| Compound Name: | 3-(benzylamino)-5-(3-methylanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 431.49 |
| Molecular Formula: | C28 H21 N3 O2 |
| Smiles: | Cc1cccc(c1)Nc1cc(c2c3c1C(c1ccccc1c3on2)=O)NCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.879 |
| logD: | 6.879 |
| logSw: | -6.0797 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.932 |
| InChI Key: | VLEVDRBVAFVSFI-UHFFFAOYSA-N |