rel-(1R,5S)-3-(5-chlorothiophene-2-sulfonyl)-7-ethyl-3,7,9-triazabicyclo[3.3.2]decan-10-one
Chemical Structure Depiction of
rel-(1R,5S)-3-(5-chlorothiophene-2-sulfonyl)-7-ethyl-3,7,9-triazabicyclo[3.3.2]decan-10-one
rel-(1R,5S)-3-(5-chlorothiophene-2-sulfonyl)-7-ethyl-3,7,9-triazabicyclo[3.3.2]decan-10-one
Compound characteristics
| Compound ID: | SD24-0054 |
| Compound Name: | rel-(1R,5S)-3-(5-chlorothiophene-2-sulfonyl)-7-ethyl-3,7,9-triazabicyclo[3.3.2]decan-10-one |
| Molecular Weight: | 363.88 |
| Molecular Formula: | C13 H18 Cl N3 O3 S2 |
| Smiles: | [H][C@]12CN(CC)C[C@]([H])(CN(C1)S(c1ccc(s1)[Cl])(=O)=O)C(N2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0543 |
| logD: | -0.2093 |
| logSw: | -2.7047 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.229 |
| InChI Key: | CGNFBZWJBIAFRC-ZJUUUORDSA-N |