N'-cyclohexyl-N-methyl-N-{[rel-(4aR,7aS)-1-methyl-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}urea
Chemical Structure Depiction of
N'-cyclohexyl-N-methyl-N-{[rel-(4aR,7aS)-1-methyl-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}urea
N'-cyclohexyl-N-methyl-N-{[rel-(4aR,7aS)-1-methyl-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}urea
Compound characteristics
| Compound ID: | S233-0988 |
| Compound Name: | N'-cyclohexyl-N-methyl-N-{[rel-(4aR,7aS)-1-methyl-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}urea |
| Molecular Weight: | 321.46 |
| Molecular Formula: | C18 H31 N3 O2 |
| Smiles: | [H][C@@]12CCC[C@]1(CCC(N2C)=O)CN(C)C(NC1CCCCC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.125 |
| logD: | 2.125 |
| logSw: | -2.1966 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.586 |
| InChI Key: | ZUIHIVVCJGFBTB-QAPCUYQASA-N |