N,N'-[(5-benzoyl-1,3,7-triazabicyclo[3.3.1]nonane-3,7-diyl)bis(sulfonyl-4,1-phenylene)]diacetamide
Chemical Structure Depiction of
N,N'-[(5-benzoyl-1,3,7-triazabicyclo[3.3.1]nonane-3,7-diyl)bis(sulfonyl-4,1-phenylene)]diacetamide
N,N'-[(5-benzoyl-1,3,7-triazabicyclo[3.3.1]nonane-3,7-diyl)bis(sulfonyl-4,1-phenylene)]diacetamide
Compound characteristics
| Compound ID: | 8008-3456 |
| Compound Name: | N,N'-[(5-benzoyl-1,3,7-triazabicyclo[3.3.1]nonane-3,7-diyl)bis(sulfonyl-4,1-phenylene)]diacetamide |
| Molecular Weight: | 625.72 |
| Molecular Formula: | C29 H31 N5 O7 S2 |
| Smiles: | CC(Nc1ccc(cc1)S(N1CC2(CN(C1)CN(C2)S(c1ccc(cc1)NC(C)=O)(=O)=O)C(c1ccccc1)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3958 |
| logD: | 2.3955 |
| logSw: | -2.8412 |
| Hydrogen bond acceptors count: | 17 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 127.906 |
| InChI Key: | RTSAJALJOIBNGJ-UHFFFAOYSA-N |