N-{[rel-(4aR,7aS)-1-(cyclohexylmethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-3,5-dimethyl-1,2-oxazole-4-carboxamide
Chemical Structure Depiction of
N-{[rel-(4aR,7aS)-1-(cyclohexylmethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-3,5-dimethyl-1,2-oxazole-4-carboxamide
N-{[rel-(4aR,7aS)-1-(cyclohexylmethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-3,5-dimethyl-1,2-oxazole-4-carboxamide
Compound characteristics
Compound ID: | S233-1730 |
Compound Name: | N-{[rel-(4aR,7aS)-1-(cyclohexylmethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-3,5-dimethyl-1,2-oxazole-4-carboxamide |
Molecular Weight: | 387.52 |
Molecular Formula: | C22 H33 N3 O3 |
Smiles: | [H][C@@]12CCC[C@]1(CCC(N2CC1CCCCC1)=O)CNC(c1c(C)noc1C)=O |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 3.2207 |
logD: | 3.2207 |
logSw: | -3.398 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 63.174 |
InChI Key: | UXIRWKTUGUNZHF-GCJKJVERSA-N |