rel-(3R,4S)-3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
rel-(3R,4S)-3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-1654 |
| Compound Name: | rel-(3R,4S)-3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 415.5 |
| Molecular Formula: | C16 H17 N O6 S3 |
| Smiles: | C(c1ccc2c(c1)OCO2)N[C@H]1CS(C[C@@H]1S(c1cccs1)(=O)=O)(=O)=O |
| Stereo: | RELATIVE |
| logP: | 0.525 |
| logD: | 0.5242 |
| logSw: | -2.133 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.982 |
| InChI Key: | AAJAXERXKYWNOC-IUODEOHRSA-N |