2-(2,4-dimethoxyphenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-nitro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(2,4-dimethoxyphenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-nitro-1H-isoindole-1,3(2H)-dione
2-(2,4-dimethoxyphenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-nitro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K906-0483 |
| Compound Name: | 2-(2,4-dimethoxyphenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-nitro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 469.45 |
| Molecular Formula: | C23 H23 N3 O8 |
| Smiles: | COc1ccc(c(c1)OC)N1C(c2cc(c(cc2C1=O)N1CCC2(CC1)OCCO2)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7841 |
| logD: | 2.7841 |
| logSw: | -3.3883 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 94.422 |
| InChI Key: | PYOLNDKSCTZGQB-UHFFFAOYSA-N |