N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]-beta-alanine
Chemical Structure Depiction of
N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]-beta-alanine
N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]-beta-alanine
Compound characteristics
| Compound ID: | C090-0546 |
| Compound Name: | N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]-beta-alanine |
| Molecular Weight: | 449.46 |
| Molecular Formula: | C24 H23 N3 O6 |
| Smiles: | C(CNc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCC2(CC1)OCCO2)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7887 |
| logD: | 0.1188 |
| logSw: | -3.7188 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.803 |
| InChI Key: | RRCXEZJKEGZCGV-UHFFFAOYSA-N |