N-(3,14-dinitro-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)acetamide
Chemical Structure Depiction of
N-(3,14-dinitro-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)acetamide
N-(3,14-dinitro-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)acetamide
Compound characteristics
| Compound ID: | 0495-0101 |
| Compound Name: | N-(3,14-dinitro-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)acetamide |
| Molecular Weight: | 507.45 |
| Molecular Formula: | C22 H25 N3 O11 |
| Smiles: | CC(Nc1cc2c(cc1[N+]([O-])=O)OCCOCCOc1ccc(cc1OCCOCCO2)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6576 |
| logD: | 0.5165 |
| logSw: | -2.2925 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 136.867 |
| InChI Key: | NMFBKAUQJNTTBW-UHFFFAOYSA-N |