2-[rel-(1aR,7bR)-1a-(hydroxymethyl)-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl]-N-[2-(5-methyl-1H-benzimidazol-2-yl)ethyl]acetamide
Chemical Structure Depiction of
2-[rel-(1aR,7bR)-1a-(hydroxymethyl)-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl]-N-[2-(5-methyl-1H-benzimidazol-2-yl)ethyl]acetamide
2-[rel-(1aR,7bR)-1a-(hydroxymethyl)-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl]-N-[2-(5-methyl-1H-benzimidazol-2-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | SC76-0007 |
| Compound Name: | 2-[rel-(1aR,7bR)-1a-(hydroxymethyl)-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl]-N-[2-(5-methyl-1H-benzimidazol-2-yl)ethyl]acetamide |
| Molecular Weight: | 404.47 |
| Molecular Formula: | C23 H24 N4 O3 |
| Smiles: | [H][C@]12C[C@]2(CO)C(N(CC(NCCc2nc3cc(C)ccc3[nH]2)=O)c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8824 |
| logD: | 1.8742 |
| logSw: | -2.6469 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.302 |
| InChI Key: | ZUQQSXTYLCIBJD-QMHKHESXSA-N |