2-{[3-(azepan-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}ethyl propanoate
Chemical Structure Depiction of
2-{[3-(azepan-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}ethyl propanoate
2-{[3-(azepan-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}ethyl propanoate
Compound characteristics
| Compound ID: | C620-0113 |
| Compound Name: | 2-{[3-(azepan-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}ethyl propanoate |
| Molecular Weight: | 433.51 |
| Molecular Formula: | C25 H27 N3 O4 |
| Smiles: | CCC(=O)OCCNc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 5.7776 |
| logD: | 5.7776 |
| logSw: | -5.7097 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.766 |
| InChI Key: | CYSABZGIMKNBQK-UHFFFAOYSA-N |