N-(16-nitro-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)acetamide
Chemical Structure Depiction of
N-(16-nitro-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)acetamide
N-(16-nitro-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)acetamide
Compound characteristics
| Compound ID: | 0896-4537 |
| Compound Name: | N-(16-nitro-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)acetamide |
| Molecular Weight: | 370.36 |
| Molecular Formula: | C16 H22 N2 O8 |
| Smiles: | CC(Nc1cc2c(cc1[N+]([O-])=O)OCCOCCOCCOCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | -0.3972 |
| logD: | -0.5383 |
| logSw: | -1.9629 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.763 |
| InChI Key: | AEQUHEJNUQMIJC-UHFFFAOYSA-N |