2-(1H-benzotriazol-1-yl)-N-[3-methoxy-4-(1H-tetrazol-1-yl)phenyl]-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-[3-methoxy-4-(1H-tetrazol-1-yl)phenyl]-N-[2-oxo-2-{[(oxolan-2-yl)methyl]amino}-1-(thiophen-2-yl)ethyl]acetamide
2-(1H-benzotriazol-1-yl)-N-[3-methoxy-4-(1H-tetrazol-1-yl)phenyl]-N-[2-oxo-2-{[(oxolan-2-yl)methyl]amino}-1-(thiophen-2-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | D092-0113 |
| Compound Name: | 2-(1H-benzotriazol-1-yl)-N-[3-methoxy-4-(1H-tetrazol-1-yl)phenyl]-N-[2-oxo-2-{[(oxolan-2-yl)methyl]amino}-1-(thiophen-2-yl)ethyl]acetamide |
| Molecular Weight: | 573.63 |
| Molecular Formula: | C27 H27 N9 O4 S |
| Smiles: | COc1cc(ccc1n1cnnn1)N(C(C(NCC1CCCO1)=O)c1cccs1)C(Cn1c2ccccc2nn1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.821 |
| logD: | 1.821 |
| logSw: | -2.6662 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 121.033 |
| InChI Key: | UNNZKLTVZSBKKV-UHFFFAOYSA-N |