N-{[rel-(4aR,7aS)-1-(cyclohexylmethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-3-methyl-1H-pyrazole-4-carboxamide
Chemical Structure Depiction of
N-{[rel-(4aR,7aS)-1-(cyclohexylmethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-3-methyl-1H-pyrazole-4-carboxamide
N-{[rel-(4aR,7aS)-1-(cyclohexylmethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-3-methyl-1H-pyrazole-4-carboxamide
Compound characteristics
| Compound ID: | S233-1643 |
| Compound Name: | N-{[rel-(4aR,7aS)-1-(cyclohexylmethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-3-methyl-1H-pyrazole-4-carboxamide |
| Molecular Weight: | 372.51 |
| Molecular Formula: | C21 H32 N4 O2 |
| Smiles: | [H][C@@]12CCC[C@]1(CCC(N2CC1CCCCC1)=O)CNC(c1c[nH]nc1C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2596 |
| logD: | 3.2596 |
| logSw: | -3.4875 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.404 |
| InChI Key: | KCKXBNOBONAWIC-NQIIRXRSSA-N |