3-{[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoic acid
Chemical Structure Depiction of
3-{[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoic acid
3-{[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoic acid
Compound characteristics
| Compound ID: | C090-0458 |
| Compound Name: | 3-{[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoic acid |
| Molecular Weight: | 497.51 |
| Molecular Formula: | C28 H23 N3 O6 |
| Smiles: | C1CN(CCC12OCCO2)c1cc(c2C(c3ccccc3c3c2c1no3)=O)Nc1cccc(c1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.89 |
| logD: | 2.5957 |
| logSw: | -5.9542 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.392 |
| InChI Key: | KJUIZBVQVBCYQY-UHFFFAOYSA-N |