1-butyl-5-methyl-3,7-bis(4-methylbenzene-1-sulfonyl)-3,7-diazabicyclo[3.3.1]nonan-9-one
Chemical Structure Depiction of
1-butyl-5-methyl-3,7-bis(4-methylbenzene-1-sulfonyl)-3,7-diazabicyclo[3.3.1]nonan-9-one
1-butyl-5-methyl-3,7-bis(4-methylbenzene-1-sulfonyl)-3,7-diazabicyclo[3.3.1]nonan-9-one
Compound characteristics
| Compound ID: | D171-0168 |
| Compound Name: | 1-butyl-5-methyl-3,7-bis(4-methylbenzene-1-sulfonyl)-3,7-diazabicyclo[3.3.1]nonan-9-one |
| Molecular Weight: | 518.69 |
| Molecular Formula: | C26 H34 N2 O5 S2 |
| Smiles: | CCCCC12CN(CC(C)(CN(C1)S(c1ccc(C)cc1)(=O)=O)C2=O)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4128 |
| logD: | 5.4128 |
| logSw: | -5.1979 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 76.269 |
| InChI Key: | QMARSUYWWQIWLP-UHFFFAOYSA-N |