2-(1H-benzotriazol-1-yl)-N-[2-(3-methylphenyl)ethyl]-N-[1-(4-methylphenyl)-2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl]acetamide
Chemical Structure Depiction of
2-(1H-benzotriazol-1-yl)-N-[2-(3-methylphenyl)ethyl]-N-[1-(4-methylphenyl)-2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl]acetamide
2-(1H-benzotriazol-1-yl)-N-[2-(3-methylphenyl)ethyl]-N-[1-(4-methylphenyl)-2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl]acetamide
Compound characteristics
| Compound ID: | D092-0124 |
| Compound Name: | 2-(1H-benzotriazol-1-yl)-N-[2-(3-methylphenyl)ethyl]-N-[1-(4-methylphenyl)-2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl]acetamide |
| Molecular Weight: | 525.65 |
| Molecular Formula: | C31 H35 N5 O3 |
| Smiles: | Cc1ccc(cc1)C(C(NCC1CCCO1)=O)N(CCc1cccc(C)c1)C(Cn1c2ccccc2nn1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2585 |
| logD: | 4.2584 |
| logSw: | -4.189 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.378 |
| InChI Key: | YHWHSTXUXJTIMQ-UHFFFAOYSA-N |