2-(1H-benzotriazol-1-yl)-N-[1-(3-methoxyphenyl)-2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl]-N-[3-methoxy-4-(1H-tetrazol-1-yl)phenyl]acetamide
Chemical Structure Depiction of
2-(1H-benzotriazol-1-yl)-N-[1-(3-methoxyphenyl)-2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl]-N-[3-methoxy-4-(1H-tetrazol-1-yl)phenyl]acetamide
2-(1H-benzotriazol-1-yl)-N-[1-(3-methoxyphenyl)-2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl]-N-[3-methoxy-4-(1H-tetrazol-1-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | D092-0112 |
| Compound Name: | 2-(1H-benzotriazol-1-yl)-N-[1-(3-methoxyphenyl)-2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl]-N-[3-methoxy-4-(1H-tetrazol-1-yl)phenyl]acetamide |
| Molecular Weight: | 597.63 |
| Molecular Formula: | C30 H31 N9 O5 |
| Smiles: | COc1cccc(c1)C(C(NCC1CCCO1)=O)N(C(Cn1c2ccccc2nn1)=O)c1ccc(c(c1)OC)n1cnnn1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.217 |
| logD: | 2.217 |
| logSw: | -2.9396 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 127.558 |
| InChI Key: | UGFDSKRIBKKXLI-UHFFFAOYSA-N |