rel-(3R,4S)-3-{[2-(4-methoxyphenoxy)ethyl]amino}-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
rel-(3R,4S)-3-{[2-(4-methoxyphenoxy)ethyl]amino}-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-{[2-(4-methoxyphenoxy)ethyl]amino}-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-1702 |
| Compound Name: | rel-(3R,4S)-3-{[2-(4-methoxyphenoxy)ethyl]amino}-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 431.55 |
| Molecular Formula: | C17 H21 N O6 S3 |
| Smiles: | COc1ccc(cc1)OCCN[C@H]1CS(C[C@@H]1S(c1cccs1)(=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9944 |
| logD: | 0.9944 |
| logSw: | -2.0023 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.67 |
| InChI Key: | ZNRVHPLJNZSEDS-HZPDHXFCSA-N |