N-benzyl-4-oxo-1-(thiophene-3-carbonyl)-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of
N-benzyl-4-oxo-1-(thiophene-3-carbonyl)-1,5-diazacycloundecane-8-carboxamide
N-benzyl-4-oxo-1-(thiophene-3-carbonyl)-1,5-diazacycloundecane-8-carboxamide
Compound characteristics
| Compound ID: | S733-0754 |
| Compound Name: | N-benzyl-4-oxo-1-(thiophene-3-carbonyl)-1,5-diazacycloundecane-8-carboxamide |
| Molecular Weight: | 413.54 |
| Molecular Formula: | C22 H27 N3 O3 S |
| Smiles: | C1CC(CCNC(CCN(C1)C(c1ccsc1)=O)=O)C(NCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.7975 |
| logD: | 0.7975 |
| logSw: | -1.9896 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.673 |
| InChI Key: | LQUYEYJNBAQUCN-SFHVURJKSA-N |