4-{[6-oxo-3-(pyrrolidin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}butanoic acid
Chemical Structure Depiction of
4-{[6-oxo-3-(pyrrolidin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}butanoic acid
4-{[6-oxo-3-(pyrrolidin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}butanoic acid
Compound characteristics
| Compound ID: | C090-0482 |
| Compound Name: | 4-{[6-oxo-3-(pyrrolidin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}butanoic acid |
| Molecular Weight: | 391.43 |
| Molecular Formula: | C22 H21 N3 O4 |
| Smiles: | C(CC(O)=O)CNc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCCC1 |
| Stereo: | ACHIRAL |
| logP: | 3.7852 |
| logD: | 0.9643 |
| logSw: | -4.2645 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.732 |
| InChI Key: | MPPNAHIEESWLAK-UHFFFAOYSA-N |