2-[rel-(1aR,7bR)-1a-(hydroxymethyl)-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl]-N-[(thiophen-3-yl)methyl]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-[(thiophen-3-yl)methyl]acetamide
2-[rel-(1aR,7bR)-1a-(hydroxymethyl)-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl]-N-[(thiophen-3-yl)methyl]acetamide
Compound characteristics
| Compound ID: | SC76-0088 |
| Compound Name: | 2-[rel-(1aR,7bR)-1a-(hydroxymethyl)-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl]-N-[(thiophen-3-yl)methyl]acetamide |
| Molecular Weight: | 342.41 |
| Molecular Formula: | C18 H18 N2 O3 S |
| Smiles: | [H][C@]12C[C@]2(CO)C(N(CC(NCc2ccsc2)=O)c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5973 |
| logD: | 1.5973 |
| logSw: | -2.2277 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.198 |
| InChI Key: | HDRPZXFZUOBJFK-KBXCAEBGSA-N |