rel-(3R,4S)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
rel-(3R,4S)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-1661 |
| Compound Name: | rel-(3R,4S)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 397.53 |
| Molecular Formula: | C17 H19 N O4 S3 |
| Smiles: | C1CN(Cc2ccccc12)[C@H]1CS(C[C@@H]1S(c1cccs1)(=O)=O)(=O)=O |
| Stereo: | RELATIVE |
| logP: | 1.6642 |
| logD: | 1.6642 |
| logSw: | -2.1935 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.607 |
| InChI Key: | UIPMYGQCISRPNC-HZPDHXFCSA-N |