N-(13-nitro-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)acetamide
Chemical Structure Depiction of
N-(13-nitro-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)acetamide
N-(13-nitro-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)acetamide
Compound characteristics
| Compound ID: | 0896-4538 |
| Compound Name: | N-(13-nitro-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)acetamide |
| Molecular Weight: | 326.3 |
| Molecular Formula: | C14 H18 N2 O7 |
| Smiles: | CC(Nc1cc2c(cc1[N+]([O-])=O)OCCOCCOCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | -0.2223 |
| logD: | -0.3634 |
| logSw: | -2.0509 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.854 |
| InChI Key: | HWGMJZKGTKFCKS-UHFFFAOYSA-N |