4-{[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}butanoic acid
Chemical Structure Depiction of
4-{[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}butanoic acid
4-{[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}butanoic acid
Compound characteristics
| Compound ID: | C090-0493 |
| Compound Name: | 4-{[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}butanoic acid |
| Molecular Weight: | 463.49 |
| Molecular Formula: | C25 H25 N3 O6 |
| Smiles: | C(CC(O)=O)CNc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCC2(CC1)OCCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.2026 |
| logD: | 0.3817 |
| logSw: | -3.9936 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.803 |
| InChI Key: | BBPLHURIVUXONI-UHFFFAOYSA-N |