1,1'-(1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-diyl)bis[2-(2,4-dinitroanilino)-3-phenylpropan-1-one]
Chemical Structure Depiction of
1,1'-(1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-diyl)bis[2-(2,4-dinitroanilino)-3-phenylpropan-1-one]
1,1'-(1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-diyl)bis[2-(2,4-dinitroanilino)-3-phenylpropan-1-one]
Compound characteristics
| Compound ID: | 0242-0463 |
| Compound Name: | 1,1'-(1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-diyl)bis[2-(2,4-dinitroanilino)-3-phenylpropan-1-one] |
| Molecular Weight: | 888.89 |
| Molecular Formula: | C42 H48 N8 O14 |
| Smiles: | C(C(C(N1CCOCCOCCN(CCOCCOCC1)C(C(Cc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)=O)=O)Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0401 |
| logD: | 5.0401 |
| logSw: | -4.9834 |
| Hydrogen bond acceptors count: | 24 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 216.566 |
| InChI Key: | BKEHLIKVBYDVLX-UHFFFAOYSA-N |