rel-(3R,4R)-1-(3-cyanobenzene-1-sulfonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-(3-cyanobenzene-1-sulfonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide
rel-(3R,4R)-1-(3-cyanobenzene-1-sulfonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S836-2569 |
| Compound Name: | rel-(3R,4R)-1-(3-cyanobenzene-1-sulfonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide |
| Molecular Weight: | 337.4 |
| Molecular Formula: | C15 H19 N3 O4 S |
| Smiles: | CNC([C@@H]1CN(C[C@H]1COC)S(c1cccc(C#N)c1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.2567 |
| logD: | 0.2567 |
| logSw: | -2.385 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.498 |
| InChI Key: | SZKIGXWTFYMHTF-GXTWGEPZSA-N |