N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(isoquinoline-1-carbonyl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(isoquinoline-1-carbonyl)pyrrolidin-3-yl]benzamide
N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(isoquinoline-1-carbonyl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | S823-7638 |
| Compound Name: | N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(isoquinoline-1-carbonyl)pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 375.43 |
| Molecular Formula: | C22 H21 N3 O3 |
| Smiles: | C1[C@H]([C@@H](CN1C(c1c2ccccc2ccn1)=O)CO)NC(c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5394 |
| logD: | 1.5394 |
| logSw: | -2.2138 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.118 |
| InChI Key: | KFNOCEFPIOVTDN-PKOBYXMFSA-N |