N-{4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}-1-(9H-purin-6-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-{4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}-1-(9H-purin-6-yl)piperidine-4-carboxamide
N-{4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}-1-(9H-purin-6-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | D753-0267 |
| Compound Name: | N-{4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}-1-(9H-purin-6-yl)piperidine-4-carboxamide |
| Molecular Weight: | 473.58 |
| Molecular Formula: | C26 H31 N7 O2 |
| Smiles: | C1CN(CCC1C(N[C@H]1CC[C@@H](CC1)CN1Cc2ccccc2C1=O)=O)c1c2c(ncn1)[nH]cn2 |
| Stereo: | ABSOLUTE |
| logP: | 2.3144 |
| logD: | 2.3117 |
| logSw: | -2.9086 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.845 |
| InChI Key: | ZSKOLZMWDSTIFR-UHFFFAOYSA-N |