1-(4-{rel-(3R,4R)-4-(hydroxymethyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl}piperidin-1-yl)-2-methylpropan-1-one
Chemical Structure Depiction of
1-(4-{rel-(3R,4R)-4-(hydroxymethyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl}piperidin-1-yl)-2-methylpropan-1-one
1-(4-{rel-(3R,4R)-4-(hydroxymethyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl}piperidin-1-yl)-2-methylpropan-1-one
Compound characteristics
| Compound ID: | S995-0894 |
| Compound Name: | 1-(4-{rel-(3R,4R)-4-(hydroxymethyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl}piperidin-1-yl)-2-methylpropan-1-one |
| Molecular Weight: | 365.54 |
| Molecular Formula: | C19 H31 N3 O2 S |
| Smiles: | CC(C)C(N1CCC(CC1)[C@@H]1CN(Cc2c(C)ncs2)C[C@H]1CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8366 |
| logD: | 0.3462 |
| logSw: | -2.0253 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.172 |
| InChI Key: | JPNGFPHVPWPUAZ-IRXDYDNUSA-N |