N-(2-chlorophenyl)-N'-{[rel-(4aR,7aS)-1-(cyclohexylmethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}urea
Chemical Structure Depiction of
N-(2-chlorophenyl)-N'-{[rel-(4aR,7aS)-1-(cyclohexylmethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}urea
N-(2-chlorophenyl)-N'-{[rel-(4aR,7aS)-1-(cyclohexylmethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}urea
Compound characteristics
| Compound ID: | S233-1712 |
| Compound Name: | N-(2-chlorophenyl)-N'-{[rel-(4aR,7aS)-1-(cyclohexylmethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}urea |
| Molecular Weight: | 417.98 |
| Molecular Formula: | C23 H32 Cl N3 O2 |
| Smiles: | [H][C@@]12CCC[C@]1(CCC(N2CC1CCCCC1)=O)CNC(Nc1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.5194 |
| logD: | 4.5194 |
| logSw: | -4.4311 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.65 |
| InChI Key: | INOLHXIKKNBNTK-OFNKIYASSA-N |