1-{4-[rel-(3R,4R)-4-(hydroxymethyl)-1-(isoquinoline-1-carbonyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[rel-(3R,4R)-4-(hydroxymethyl)-1-(isoquinoline-1-carbonyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
1-{4-[rel-(3R,4R)-4-(hydroxymethyl)-1-(isoquinoline-1-carbonyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | S632-2291 |
| Compound Name: | 1-{4-[rel-(3R,4R)-4-(hydroxymethyl)-1-(isoquinoline-1-carbonyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one |
| Molecular Weight: | 381.47 |
| Molecular Formula: | C22 H27 N3 O3 |
| Smiles: | CC(N1CCC(CC1)[C@@H]1CN(C[C@H]1CO)C(c1c2ccccc2ccn1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4779 |
| logD: | 1.4779 |
| logSw: | -2.0544 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.898 |
| InChI Key: | UNZVGNAPFAAVBW-ICSRJNTNSA-N |