N-{[rel-(4aR,7aS)-1-(cyclohexylmethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}pyrimidine-2-carboxamide
Chemical Structure Depiction of
N-{[rel-(4aR,7aS)-1-(cyclohexylmethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}pyrimidine-2-carboxamide
N-{[rel-(4aR,7aS)-1-(cyclohexylmethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | S233-1691 |
| Compound Name: | N-{[rel-(4aR,7aS)-1-(cyclohexylmethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}pyrimidine-2-carboxamide |
| Molecular Weight: | 370.49 |
| Molecular Formula: | C21 H30 N4 O2 |
| Smiles: | [H][C@@]12CCC[C@]1(CCC(N2CC1CCCCC1)=O)CNC(c1ncccn1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0706 |
| logD: | 2.0705 |
| logSw: | -2.2505 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.571 |
| InChI Key: | JSIWERAVDKSDKS-UTKZUKDTSA-N |