N-{[rel-(4aR,7aS)-2-oxo-1-propyloctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}isoquinoline-1-carboxamide
Chemical Structure Depiction of
N-{[rel-(4aR,7aS)-2-oxo-1-propyloctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}isoquinoline-1-carboxamide
N-{[rel-(4aR,7aS)-2-oxo-1-propyloctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}isoquinoline-1-carboxamide
Compound characteristics
| Compound ID: | S233-1990 |
| Compound Name: | N-{[rel-(4aR,7aS)-2-oxo-1-propyloctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}isoquinoline-1-carboxamide |
| Molecular Weight: | 365.47 |
| Molecular Formula: | C22 H27 N3 O2 |
| Smiles: | [H][C@@]12CCC[C@]1(CCC(N2CCC)=O)CNC(c1c2ccccc2ccn1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8942 |
| logD: | 2.8942 |
| logSw: | -3.11 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.74 |
| InChI Key: | ZKSCFUIUNXCATI-GCJKJVERSA-N |