rel-(4R,5S)-4-(5-nitro-2H-tetrazol-2-yl)-5-(thiophen-2-yl)-5,6-dihydro[1,1'-biphenyl]-3(4H)-one
Chemical Structure Depiction of
rel-(4R,5S)-4-(5-nitro-2H-tetrazol-2-yl)-5-(thiophen-2-yl)-5,6-dihydro[1,1'-biphenyl]-3(4H)-one
rel-(4R,5S)-4-(5-nitro-2H-tetrazol-2-yl)-5-(thiophen-2-yl)-5,6-dihydro[1,1'-biphenyl]-3(4H)-one
Compound characteristics
| Compound ID: | 8006-2516 |
| Compound Name: | rel-(4R,5S)-4-(5-nitro-2H-tetrazol-2-yl)-5-(thiophen-2-yl)-5,6-dihydro[1,1'-biphenyl]-3(4H)-one |
| Molecular Weight: | 367.38 |
| Molecular Formula: | C17 H13 N5 O3 S |
| Smiles: | C1C(=CC([C@@H]([C@H]1c1cccs1)n1nc(nn1)[N+]([O-])=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6487 |
| logD: | 2.6487 |
| logSw: | -3.0694 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 82.938 |
| InChI Key: | HRIMPJVBIURDQV-BBRMVZONSA-N |