3-(1,3-benzothiazol-2-yl)-1-[rel-(3R,4R)-3-(methoxymethyl)-4-(pyridin-2-yl)pyrrolidin-1-yl]propan-1-one
Chemical Structure Depiction of
3-(1,3-benzothiazol-2-yl)-1-[rel-(3R,4R)-3-(methoxymethyl)-4-(pyridin-2-yl)pyrrolidin-1-yl]propan-1-one
3-(1,3-benzothiazol-2-yl)-1-[rel-(3R,4R)-3-(methoxymethyl)-4-(pyridin-2-yl)pyrrolidin-1-yl]propan-1-one
Compound characteristics
| Compound ID: | S831-3538 |
| Compound Name: | 3-(1,3-benzothiazol-2-yl)-1-[rel-(3R,4R)-3-(methoxymethyl)-4-(pyridin-2-yl)pyrrolidin-1-yl]propan-1-one |
| Molecular Weight: | 381.5 |
| Molecular Formula: | C21 H23 N3 O2 S |
| Smiles: | COC[C@@H]1CN(C[C@H]1c1ccccn1)C(CCc1nc2ccccc2s1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.7864 |
| logD: | 2.7858 |
| logSw: | -3.164 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.008 |
| InChI Key: | XLNDLCZLSGABFR-JKSUJKDBSA-N |