rel-(1R,5S)-9-benzyl-3-(2-chlorobenzene-1-sulfonyl)-7-ethyl-3,7,9-triazabicyclo[3.3.2]decan-10-one
Chemical Structure Depiction of
rel-(1R,5S)-9-benzyl-3-(2-chlorobenzene-1-sulfonyl)-7-ethyl-3,7,9-triazabicyclo[3.3.2]decan-10-one
rel-(1R,5S)-9-benzyl-3-(2-chlorobenzene-1-sulfonyl)-7-ethyl-3,7,9-triazabicyclo[3.3.2]decan-10-one
Compound characteristics
Compound ID: | SD24-0415 |
Compound Name: | rel-(1R,5S)-9-benzyl-3-(2-chlorobenzene-1-sulfonyl)-7-ethyl-3,7,9-triazabicyclo[3.3.2]decan-10-one |
Molecular Weight: | 447.98 |
Molecular Formula: | C22 H26 Cl N3 O3 S |
Smiles: | [H][C@]12CN(CC)C[C@]([H])(CN(C1)S(c1ccccc1[Cl])(=O)=O)C(N2Cc1ccccc1)=O |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 2.4499 |
logD: | 1.8854 |
logSw: | -2.9335 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 51.514 |
InChI Key: | ZXPRECQRQXKVNF-MOPGFXCFSA-N |