rel-(3R,4S)-3-[(3-phenylpropyl)amino]-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
rel-(3R,4S)-3-[(3-phenylpropyl)amino]-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-[(3-phenylpropyl)amino]-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-1698 |
| Compound Name: | rel-(3R,4S)-3-[(3-phenylpropyl)amino]-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 399.55 |
| Molecular Formula: | C17 H21 N O4 S3 |
| Smiles: | C(Cc1ccccc1)CN[C@H]1CS(C[C@@H]1S(c1cccs1)(=O)=O)(=O)=O |
| Stereo: | RELATIVE |
| logP: | 1.8015 |
| logD: | 1.8012 |
| logSw: | -2.1872 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.708 |
| InChI Key: | VIINBCNGGXYTHJ-HZPDHXFCSA-N |