3-[rel-(3R,4S)-3-(methoxymethyl)-4-(pyridin-4-yl)pyrrolidine-1-sulfonyl]benzonitrile
Chemical Structure Depiction of
3-[rel-(3R,4S)-3-(methoxymethyl)-4-(pyridin-4-yl)pyrrolidine-1-sulfonyl]benzonitrile
3-[rel-(3R,4S)-3-(methoxymethyl)-4-(pyridin-4-yl)pyrrolidine-1-sulfonyl]benzonitrile
Compound characteristics
| Compound ID: | S824-2124 |
| Compound Name: | 3-[rel-(3R,4S)-3-(methoxymethyl)-4-(pyridin-4-yl)pyrrolidine-1-sulfonyl]benzonitrile |
| Molecular Weight: | 357.43 |
| Molecular Formula: | C18 H19 N3 O3 S |
| Smiles: | COC[C@@H]1CN(C[C@H]1c1ccncc1)S(c1cccc(C#N)c1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8702 |
| logD: | 1.8296 |
| logSw: | -2.4543 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.819 |
| InChI Key: | FMYINDFIFAWELM-WMZOPIPTSA-N |