N-[2-(4-benzylpiperidin-1-yl)ethyl]-2-[rel-(1aR,7bR)-1a-(hydroxymethyl)-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl]acetamide
Chemical Structure Depiction of
N-[2-(4-benzylpiperidin-1-yl)ethyl]-2-[rel-(1aR,7bR)-1a-(hydroxymethyl)-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl]acetamide
N-[2-(4-benzylpiperidin-1-yl)ethyl]-2-[rel-(1aR,7bR)-1a-(hydroxymethyl)-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl]acetamide
Compound characteristics
| Compound ID: | SC76-0028 |
| Compound Name: | N-[2-(4-benzylpiperidin-1-yl)ethyl]-2-[rel-(1aR,7bR)-1a-(hydroxymethyl)-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl]acetamide |
| Molecular Weight: | 447.58 |
| Molecular Formula: | C27 H33 N3 O3 |
| Smiles: | [H][C@]12C[C@]2(CO)C(N(CC(NCCN2CCC(CC2)Cc2ccccc2)=O)c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8218 |
| logD: | 1.8416 |
| logSw: | -3.1537 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.732 |
| InChI Key: | DNFOHNBKXBOSGN-WNCULLNHSA-N |