rel-(3R,4S)-3-[(1-phenylethyl)amino]-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
rel-(3R,4S)-3-[(1-phenylethyl)amino]-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-[(1-phenylethyl)amino]-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-1646 |
| Compound Name: | rel-(3R,4S)-3-[(1-phenylethyl)amino]-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 385.52 |
| Molecular Formula: | C16 H19 N O4 S3 |
| Smiles: | CC(c1ccccc1)N[C@H]1CS(C[C@@H]1S(c1cccs1)(=O)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.5998 |
| logD: | 1.5998 |
| logSw: | -2.0896 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.03 |
| InChI Key: | PGTJNPLCXXAJNY-NWANDNLSSA-N |