2-(1H-benzotriazol-1-yl)-N-(3,4-dimethoxyphenyl)-N-[1-(4-methylphenyl)-2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl]acetamide
Chemical Structure Depiction of
2-(1H-benzotriazol-1-yl)-N-(3,4-dimethoxyphenyl)-N-[1-(4-methylphenyl)-2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl]acetamide
2-(1H-benzotriazol-1-yl)-N-(3,4-dimethoxyphenyl)-N-[1-(4-methylphenyl)-2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl]acetamide
Compound characteristics
| Compound ID: | D092-0126 |
| Compound Name: | 2-(1H-benzotriazol-1-yl)-N-(3,4-dimethoxyphenyl)-N-[1-(4-methylphenyl)-2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl]acetamide |
| Molecular Weight: | 543.62 |
| Molecular Formula: | C30 H33 N5 O5 |
| Smiles: | Cc1ccc(cc1)C(C(NCC1CCCO1)=O)N(C(Cn1c2ccccc2nn1)=O)c1ccc(c(c1)OC)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8458 |
| logD: | 2.8458 |
| logSw: | -3.1764 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.18 |
| InChI Key: | NQHVEKJRSNLPSS-UHFFFAOYSA-N |