2-(1H-benzotriazol-1-yl)-N-(1-[4-(dimethylamino)phenyl]-2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)-N-(4-fluorophenyl)acetamide
Chemical Structure Depiction of
2-(1H-benzotriazol-1-yl)-N-(1-[4-(dimethylamino)phenyl]-2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)-N-(4-fluorophenyl)acetamide
2-(1H-benzotriazol-1-yl)-N-(1-[4-(dimethylamino)phenyl]-2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)-N-(4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | D092-0116 |
| Compound Name: | 2-(1H-benzotriazol-1-yl)-N-(1-[4-(dimethylamino)phenyl]-2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)-N-(4-fluorophenyl)acetamide |
| Molecular Weight: | 530.6 |
| Molecular Formula: | C29 H31 F N6 O3 |
| Smiles: | CN(C)c1ccc(cc1)C(C(NCC1CCCO1)=O)N(C(Cn1c2ccccc2nn1)=O)c1ccc(cc1)F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8687 |
| logD: | 2.8544 |
| logSw: | -3.2098 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.724 |
| InChI Key: | AJCSEIYKIPTUJH-UHFFFAOYSA-N |