2-(1H-benzotriazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-[2-oxo-2-{[(oxolan-2-yl)methyl]amino}-1-(thiophen-2-yl)ethyl]acetamide
Chemical Structure Depiction of
2-(1H-benzotriazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-[2-oxo-2-{[(oxolan-2-yl)methyl]amino}-1-(thiophen-2-yl)ethyl]acetamide
2-(1H-benzotriazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-[2-oxo-2-{[(oxolan-2-yl)methyl]amino}-1-(thiophen-2-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | D092-0142 |
| Compound Name: | 2-(1H-benzotriazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-[2-oxo-2-{[(oxolan-2-yl)methyl]amino}-1-(thiophen-2-yl)ethyl]acetamide |
| Molecular Weight: | 507.59 |
| Molecular Formula: | C26 H26 F N5 O3 S |
| Smiles: | C1CC(CNC(C(c2cccs2)N(Cc2ccc(cc2)F)C(Cn2c3ccccc3nn2)=O)=O)OC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4288 |
| logD: | 2.4288 |
| logSw: | -2.5809 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.418 |
| InChI Key: | UBRPSXKJXKOMSU-UHFFFAOYSA-N |