1-[rel-(3R,4R)-3-(1-acetylpiperidin-4-yl)-4-(hydroxymethyl)pyrrolidin-1-yl]-4-(1,3-benzothiazol-2-yl)butan-1-one
Chemical Structure Depiction of
1-[rel-(3R,4R)-3-(1-acetylpiperidin-4-yl)-4-(hydroxymethyl)pyrrolidin-1-yl]-4-(1,3-benzothiazol-2-yl)butan-1-one
1-[rel-(3R,4R)-3-(1-acetylpiperidin-4-yl)-4-(hydroxymethyl)pyrrolidin-1-yl]-4-(1,3-benzothiazol-2-yl)butan-1-one
Compound characteristics
| Compound ID: | S995-0483 |
| Compound Name: | 1-[rel-(3R,4R)-3-(1-acetylpiperidin-4-yl)-4-(hydroxymethyl)pyrrolidin-1-yl]-4-(1,3-benzothiazol-2-yl)butan-1-one |
| Molecular Weight: | 429.58 |
| Molecular Formula: | C23 H31 N3 O3 S |
| Smiles: | CC(N1CCC(CC1)[C@@H]1CN(C[C@H]1CO)C(CCCc1nc2ccccc2s1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4409 |
| logD: | 2.4409 |
| logSw: | -2.4497 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.039 |
| InChI Key: | FAUQLUQDSHBEQR-OALUTQOASA-N |