2-(1H-benzotriazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-[1-(4-methoxyphenyl)-2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl]acetamide
Chemical Structure Depiction of
2-(1H-benzotriazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-[1-(4-methoxyphenyl)-2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl]acetamide
2-(1H-benzotriazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-[1-(4-methoxyphenyl)-2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl]acetamide
Compound characteristics
| Compound ID: | D092-0115 |
| Compound Name: | 2-(1H-benzotriazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-[1-(4-methoxyphenyl)-2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl]acetamide |
| Molecular Weight: | 531.59 |
| Molecular Formula: | C29 H30 F N5 O4 |
| Smiles: | COc1ccc(cc1)C(C(NCC1CCCO1)=O)N(Cc1ccc(cc1)F)C(Cn1c2ccccc2nn1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7869 |
| logD: | 2.7869 |
| logSw: | -3.1106 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.944 |
| InChI Key: | JTFSFMUAOWGALF-UHFFFAOYSA-N |