dibenzyl 4,4'-{1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-diylbis[(1-oxoethane-2,1-diyl)azanediyl]}dibutanoate
Chemical Structure Depiction of
dibenzyl 4,4'-{1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-diylbis[(1-oxoethane-2,1-diyl)azanediyl]}dibutanoate
dibenzyl 4,4'-{1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-diylbis[(1-oxoethane-2,1-diyl)azanediyl]}dibutanoate
Compound characteristics
| Compound ID: | 0495-0021 |
| Compound Name: | dibenzyl 4,4'-{1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-diylbis[(1-oxoethane-2,1-diyl)azanediyl]}dibutanoate |
| Molecular Weight: | 728.89 |
| Molecular Formula: | C38 H56 N4 O10 |
| Smiles: | C(CC(=O)OCc1ccccc1)CNC(CN1CCOCCOCCN(CCOCCOCC1)CC(NCCCC(=O)OCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8978 |
| logD: | 1.8876 |
| logSw: | -2.2835 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 129.171 |
| InChI Key: | DAIJGQBPXQGZOH-UHFFFAOYSA-N |