N-benzyl-4-oxo-1-(thiophene-2-carbonyl)-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of
N-benzyl-4-oxo-1-(thiophene-2-carbonyl)-1,5-diazacycloundecane-8-carboxamide
N-benzyl-4-oxo-1-(thiophene-2-carbonyl)-1,5-diazacycloundecane-8-carboxamide
Compound characteristics
| Compound ID: | S733-0723 |
| Compound Name: | N-benzyl-4-oxo-1-(thiophene-2-carbonyl)-1,5-diazacycloundecane-8-carboxamide |
| Molecular Weight: | 413.54 |
| Molecular Formula: | C22 H27 N3 O3 S |
| Smiles: | C1CC(CCNC(CCN(C1)C(c1cccs1)=O)=O)C(NCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1195 |
| logD: | 1.1194 |
| logSw: | -2.0397 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.673 |
| InChI Key: | BGSASWXQECMBQE-SFHVURJKSA-N |