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 |