1-[rel-(3R,4S)-1-(4-ethylbenzene-1-sulfonyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-3-yl]-N,N-dimethylmethanamine
Chemical Structure Depiction of
1-[rel-(3R,4S)-1-(4-ethylbenzene-1-sulfonyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-3-yl]-N,N-dimethylmethanamine
1-[rel-(3R,4S)-1-(4-ethylbenzene-1-sulfonyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-3-yl]-N,N-dimethylmethanamine
Compound characteristics
| Compound ID: | SB53-0058 |
| Compound Name: | 1-[rel-(3R,4S)-1-(4-ethylbenzene-1-sulfonyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-3-yl]-N,N-dimethylmethanamine |
| Molecular Weight: | 378.49 |
| Molecular Formula: | C18 H26 N4 O3 S |
| Smiles: | CCc1ccc(cc1)S(N1C[C@H](CN(C)C)[C@H](C1)c1nnc(C)o1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1197 |
| logD: | 0.5417 |
| logSw: | -2.8361 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.813 |
| InChI Key: | SSCUVPQCXNVVJX-NVXWUHKLSA-N |