2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methoxyphenyl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide
Chemical Structure Depiction of
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methoxyphenyl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methoxyphenyl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide
Compound characteristics
| Compound ID: | C094-0137 |
| Compound Name: | 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methoxyphenyl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide |
| Molecular Weight: | 471.47 |
| Molecular Formula: | C23 H25 N3 O8 |
| Smiles: | COc1ccc(cc1)NC(C(c1cc2c(cc1[N+]([O-])=O)OCO2)N1CCC2(CC1)OCCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8418 |
| logD: | 2.8383 |
| logSw: | -3.6549 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.531 |
| InChI Key: | BPEYBENDCBWGHD-OAQYLSRUSA-N |