1,1'-(1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-diyl)bis[6-(benzylamino)-2-bromohexan-1-one]
Chemical Structure Depiction of
1,1'-(1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-diyl)bis[6-(benzylamino)-2-bromohexan-1-one]
1,1'-(1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-diyl)bis[6-(benzylamino)-2-bromohexan-1-one]
Compound characteristics
| Compound ID: | 0242-0428 |
| Compound Name: | 1,1'-(1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-diyl)bis[6-(benzylamino)-2-bromohexan-1-one] |
| Molecular Weight: | 826.71 |
| Molecular Formula: | C38 H58 Br2 N4 O6 |
| Smiles: | C(CCNCc1ccccc1)CC(C(N1CCOCCOCCN(CCOCCOCC1)C(C(CCCCNCc1ccccc1)[Br])=O)=O)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1499 |
| logD: | 1.6397 |
| logSw: | -3.0684 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.066 |
| InChI Key: | GXYXKDCEJYRVOK-UHFFFAOYSA-N |