2-(1H-benzotriazol-1-yl)-N-[2-(3-methylphenyl)ethyl]-N-[2-oxo-2-{[(oxolan-2-yl)methyl]amino}-1-(thiophen-2-yl)ethyl]acetamide
Chemical Structure Depiction of
2-(1H-benzotriazol-1-yl)-N-[2-(3-methylphenyl)ethyl]-N-[2-oxo-2-{[(oxolan-2-yl)methyl]amino}-1-(thiophen-2-yl)ethyl]acetamide
2-(1H-benzotriazol-1-yl)-N-[2-(3-methylphenyl)ethyl]-N-[2-oxo-2-{[(oxolan-2-yl)methyl]amino}-1-(thiophen-2-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | D092-0130 |
| Compound Name: | 2-(1H-benzotriazol-1-yl)-N-[2-(3-methylphenyl)ethyl]-N-[2-oxo-2-{[(oxolan-2-yl)methyl]amino}-1-(thiophen-2-yl)ethyl]acetamide |
| Molecular Weight: | 517.65 |
| Molecular Formula: | C28 H31 N5 O3 S |
| Smiles: | Cc1cccc(CCN(C(C(NCC2CCCO2)=O)c2cccs2)C(Cn2c3ccccc3nn2)=O)c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4593 |
| logD: | 3.4593 |
| logSw: | -3.7019 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.397 |
| InChI Key: | DAUHZEHAZNXDMN-UHFFFAOYSA-N |