rel-(4R,5S)-4-(1H-benzotriazol-1-yl)-5-(thiophen-2-yl)-5,6-dihydro[1,1'-biphenyl]-3(4H)-one
Chemical Structure Depiction of
rel-(4R,5S)-4-(1H-benzotriazol-1-yl)-5-(thiophen-2-yl)-5,6-dihydro[1,1'-biphenyl]-3(4H)-one
rel-(4R,5S)-4-(1H-benzotriazol-1-yl)-5-(thiophen-2-yl)-5,6-dihydro[1,1'-biphenyl]-3(4H)-one
Compound characteristics
| Compound ID: | 8005-5805 |
| Compound Name: | rel-(4R,5S)-4-(1H-benzotriazol-1-yl)-5-(thiophen-2-yl)-5,6-dihydro[1,1'-biphenyl]-3(4H)-one |
| Molecular Weight: | 371.46 |
| Molecular Formula: | C22 H17 N3 O S |
| Smiles: | C1C(=CC([C@@H]([C@H]1c1cccs1)n1c2ccccc2nn1)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.3535 |
| logD: | 4.3535 |
| logSw: | -4.5128 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 38.288 |
| InChI Key: | XZJFJKRMOLBXKH-JTSKRJEESA-N |