2-[rel-(1aR,7bR)-1a-(hydroxymethyl)-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl]-N-(3-methoxypropyl)-N-[(thiophen-2-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-(3-methoxypropyl)-N-[(thiophen-2-yl)methyl]acetamide
2-[rel-(1aR,7bR)-1a-(hydroxymethyl)-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl]-N-(3-methoxypropyl)-N-[(thiophen-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | SC76-0064 |
| Compound Name: | 2-[rel-(1aR,7bR)-1a-(hydroxymethyl)-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl]-N-(3-methoxypropyl)-N-[(thiophen-2-yl)methyl]acetamide |
| Molecular Weight: | 414.52 |
| Molecular Formula: | C22 H26 N2 O4 S |
| Smiles: | [H][C@]12C[C@]2(CO)C(N(CC(N(CCCOC)Cc2cccs2)=O)c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0194 |
| logD: | 2.0194 |
| logSw: | -2.3114 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.002 |
| InChI Key: | HQDDIEIXTICGDS-PGRDOPGGSA-N |