1-{4-[rel-(3R,4R)-4-(hydroxymethyl)-1-(isoquinoline-1-carbonyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one
Chemical Structure Depiction of
1-{4-[rel-(3R,4R)-4-(hydroxymethyl)-1-(isoquinoline-1-carbonyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one
1-{4-[rel-(3R,4R)-4-(hydroxymethyl)-1-(isoquinoline-1-carbonyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one
Compound characteristics
| Compound ID: | S995-0906 |
| Compound Name: | 1-{4-[rel-(3R,4R)-4-(hydroxymethyl)-1-(isoquinoline-1-carbonyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one |
| Molecular Weight: | 409.53 |
| Molecular Formula: | C24 H31 N3 O3 |
| Smiles: | CC(C)C(N1CCC(CC1)[C@@H]1CN(C[C@H]1CO)C(c1c2ccccc2ccn1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2782 |
| logD: | 2.2782 |
| logSw: | -2.5345 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.43 |
| InChI Key: | SIBDMCDNNUEGHG-FPOVZHCZSA-N |