3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-5-(2,4,6-trimethylanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-5-(2,4,6-trimethylanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-5-(2,4,6-trimethylanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C620-0675 |
| Compound Name: | 3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-5-(2,4,6-trimethylanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 503.56 |
| Molecular Formula: | C31 H25 N3 O4 |
| Smiles: | Cc1cc(C)c(c(C)c1)Nc1cc(c2c3c1C(c1ccccc1c3on2)=O)NCc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 6.9331 |
| logD: | 6.9331 |
| logSw: | -6.0155 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.652 |
| InChI Key: | MRIMNWVHXOQNFP-UHFFFAOYSA-N |