1,5-dimethyl-3,7-bis(4-methylbenzene-1-sulfonyl)-3,7-diazabicyclo[3.3.1]nonan-9-one
Chemical Structure Depiction of
1,5-dimethyl-3,7-bis(4-methylbenzene-1-sulfonyl)-3,7-diazabicyclo[3.3.1]nonan-9-one
1,5-dimethyl-3,7-bis(4-methylbenzene-1-sulfonyl)-3,7-diazabicyclo[3.3.1]nonan-9-one
Compound characteristics
| Compound ID: | 2917-0016 |
| Compound Name: | 1,5-dimethyl-3,7-bis(4-methylbenzene-1-sulfonyl)-3,7-diazabicyclo[3.3.1]nonan-9-one |
| Molecular Weight: | 476.61 |
| Molecular Formula: | C23 H28 N2 O5 S2 |
| Smiles: | Cc1ccc(cc1)S(N1CC2(C)CN(CC(C)(C1)C2=O)S(c1ccc(C)cc1)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0375 |
| logD: | 4.0375 |
| logSw: | -4.0005 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 76.269 |
| InChI Key: | AIQIVNWLEQCYCY-UHFFFAOYSA-N |