2-(1H-benzotriazol-1-yl)-N-[1-(4-methoxyphenyl)-2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl]-N-[3-methyl-4-(1H-tetrazol-1-yl)phenyl]acetamide
Chemical Structure Depiction of
2-(1H-benzotriazol-1-yl)-N-[1-(4-methoxyphenyl)-2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl]-N-[3-methyl-4-(1H-tetrazol-1-yl)phenyl]acetamide
2-(1H-benzotriazol-1-yl)-N-[1-(4-methoxyphenyl)-2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl]-N-[3-methyl-4-(1H-tetrazol-1-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | D092-0108 |
| Compound Name: | 2-(1H-benzotriazol-1-yl)-N-[1-(4-methoxyphenyl)-2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl]-N-[3-methyl-4-(1H-tetrazol-1-yl)phenyl]acetamide |
| Molecular Weight: | 581.63 |
| Molecular Formula: | C30 H31 N9 O4 |
| Smiles: | Cc1cc(ccc1n1cnnn1)N(C(C(NCC1CCCO1)=O)c1ccc(cc1)OC)C(Cn1c2ccccc2nn1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6738 |
| logD: | 2.6738 |
| logSw: | -3.0283 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 119.928 |
| InChI Key: | LVFKPXAAIOVGRJ-UHFFFAOYSA-N |