1-{4-[rel-(3R,4R)-4-(phenoxymethyl)-1-(pyridine-3-sulfonyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[rel-(3R,4R)-4-(phenoxymethyl)-1-(pyridine-3-sulfonyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
1-{4-[rel-(3R,4R)-4-(phenoxymethyl)-1-(pyridine-3-sulfonyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | S995-1036 |
| Compound Name: | 1-{4-[rel-(3R,4R)-4-(phenoxymethyl)-1-(pyridine-3-sulfonyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one |
| Molecular Weight: | 443.56 |
| Molecular Formula: | C23 H29 N3 O4 S |
| Smiles: | CC(N1CCC(CC1)[C@@H]1CN(C[C@H]1COc1ccccc1)S(c1cccnc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6879 |
| logD: | 2.6879 |
| logSw: | -2.6943 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.044 |
| InChI Key: | MVYHYBAYTKMWRE-REWPJTCUSA-N |