3-[benzyl(2-hydroxyethyl)amino]-5-(2,5-dimethylanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
3-[benzyl(2-hydroxyethyl)amino]-5-(2,5-dimethylanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
3-[benzyl(2-hydroxyethyl)amino]-5-(2,5-dimethylanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C620-0639 |
| Compound Name: | 3-[benzyl(2-hydroxyethyl)amino]-5-(2,5-dimethylanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 489.57 |
| Molecular Formula: | C31 H27 N3 O3 |
| Smiles: | Cc1ccc(C)c(c1)Nc1cc(c2c3c1C(c1ccccc1c3on2)=O)N(CCO)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.839 |
| logD: | 6.839 |
| logSw: | -5.9591 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.046 |
| InChI Key: | IURDSECRFWNLPX-UHFFFAOYSA-N |