N-{[rel-(4aR,7aS)-1-(cyclohexylmethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-1-methyl-1H-pyrrole-2-carboxamide
Chemical Structure Depiction of
N-{[rel-(4aR,7aS)-1-(cyclohexylmethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-1-methyl-1H-pyrrole-2-carboxamide
N-{[rel-(4aR,7aS)-1-(cyclohexylmethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-1-methyl-1H-pyrrole-2-carboxamide
Compound characteristics
| Compound ID: | S233-1700 |
| Compound Name: | N-{[rel-(4aR,7aS)-1-(cyclohexylmethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-1-methyl-1H-pyrrole-2-carboxamide |
| Molecular Weight: | 371.52 |
| Molecular Formula: | C22 H33 N3 O2 |
| Smiles: | [H][C@@]12CCC[C@]1(CCC(N2CC1CCCCC1)=O)CNC(c1cccn1C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.2812 |
| logD: | 4.2812 |
| logSw: | -4.2175 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.553 |
| InChI Key: | QAVXWIYRBBVCFN-KNQAVFIVSA-N |