N-{[rel-(4aR,7aS)-1-(cyclohexylmethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-N'-[(furan-2-yl)methyl]urea
Chemical Structure Depiction of
N-{[rel-(4aR,7aS)-1-(cyclohexylmethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-N'-[(furan-2-yl)methyl]urea
N-{[rel-(4aR,7aS)-1-(cyclohexylmethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-N'-[(furan-2-yl)methyl]urea
Compound characteristics
| Compound ID: | S233-1718 |
| Compound Name: | N-{[rel-(4aR,7aS)-1-(cyclohexylmethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-N'-[(furan-2-yl)methyl]urea |
| Molecular Weight: | 387.52 |
| Molecular Formula: | C22 H33 N3 O3 |
| Smiles: | [H][C@@]12CCC[C@]1(CCC(N2CC1CCCCC1)=O)CNC(NCc1ccco1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.467 |
| logD: | 3.467 |
| logSw: | -3.5681 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.418 |
| InChI Key: | YDYNYPWPBUSXEG-KNQAVFIVSA-N |