N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-2-(1H-benzotriazol-1-yl)-N-[1-(4-methylphenyl)-2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl]acetamide
Chemical Structure Depiction of
N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-2-(1H-benzotriazol-1-yl)-N-[1-(4-methylphenyl)-2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl]acetamide
N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-2-(1H-benzotriazol-1-yl)-N-[1-(4-methylphenyl)-2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl]acetamide
Compound characteristics
| Compound ID: | D092-0138 |
| Compound Name: | N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-2-(1H-benzotriazol-1-yl)-N-[1-(4-methylphenyl)-2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl]acetamide |
| Molecular Weight: | 569.62 |
| Molecular Formula: | C31 H31 N5 O6 |
| Smiles: | CC(c1cc2c(cc1N(C(C(NCC1CCCO1)=O)c1ccc(C)cc1)C(Cn1c3ccccc3nn1)=O)OCO2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0741 |
| logD: | 3.0741 |
| logSw: | -3.3655 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.561 |
| InChI Key: | ANYDVSFQGICCJD-UHFFFAOYSA-N |