N-[(2S)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylpropyl]-1-(9H-purin-6-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(2S)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylpropyl]-1-(9H-purin-6-yl)piperidine-4-carboxamide
N-[(2S)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylpropyl]-1-(9H-purin-6-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | D754-0233 |
| Compound Name: | N-[(2S)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylpropyl]-1-(9H-purin-6-yl)piperidine-4-carboxamide |
| Molecular Weight: | 495.58 |
| Molecular Formula: | C28 H29 N7 O2 |
| Smiles: | C1CN(CCC1C(NC[C@@H](CN1Cc2ccccc2C1=O)c1ccccc1)=O)c1c2c(ncn1)[nH]cn2 |
| Stereo: | ABSOLUTE |
| logP: | 3.0848 |
| logD: | 3.0821 |
| logSw: | -3.3662 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.12 |
| InChI Key: | GHCXDGPWEZSKQV-QFIPXVFZSA-N |