1-(benzenesulfonyl)-4-oxo-N-{3-[(propan-2-yl)oxy]propyl}-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of
1-(benzenesulfonyl)-4-oxo-N-{3-[(propan-2-yl)oxy]propyl}-1,5-diazacycloundecane-8-carboxamide
1-(benzenesulfonyl)-4-oxo-N-{3-[(propan-2-yl)oxy]propyl}-1,5-diazacycloundecane-8-carboxamide
Compound characteristics
| Compound ID: | S733-3212 |
| Compound Name: | 1-(benzenesulfonyl)-4-oxo-N-{3-[(propan-2-yl)oxy]propyl}-1,5-diazacycloundecane-8-carboxamide |
| Molecular Weight: | 453.6 |
| Molecular Formula: | C22 H35 N3 O5 S |
| Smiles: | CC(C)OCCCNC(C1CCCN(CCC(NCC1)=O)S(c1ccccc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.5655 |
| logD: | 0.5655 |
| logSw: | -2.3003 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.031 |
| InChI Key: | XBWSCYPYFGSCBD-IBGZPJMESA-N |