2-{[6-oxo-3-(pyrrolidin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}ethyl acetate
Chemical Structure Depiction of
2-{[6-oxo-3-(pyrrolidin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}ethyl acetate
2-{[6-oxo-3-(pyrrolidin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}ethyl acetate
Compound characteristics
| Compound ID: | C620-0052 |
| Compound Name: | 2-{[6-oxo-3-(pyrrolidin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}ethyl acetate |
| Molecular Weight: | 391.43 |
| Molecular Formula: | C22 H21 N3 O4 |
| Smiles: | CC(=O)OCCNc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCCC1 |
| Stereo: | ACHIRAL |
| logP: | 4.4908 |
| logD: | 4.4908 |
| logSw: | -4.5826 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.498 |
| InChI Key: | ZCBJUERRZJAGFD-UHFFFAOYSA-N |