3-{2-[1-(3-bromobenzene-1-sulfonyl)pyrrolidin-2-yl]ethyl}-4-ethyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{2-[1-(3-bromobenzene-1-sulfonyl)pyrrolidin-2-yl]ethyl}-4-ethyl-4H-1,2,4-triazole
3-{2-[1-(3-bromobenzene-1-sulfonyl)pyrrolidin-2-yl]ethyl}-4-ethyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | SD73-0157 |
| Compound Name: | 3-{2-[1-(3-bromobenzene-1-sulfonyl)pyrrolidin-2-yl]ethyl}-4-ethyl-4H-1,2,4-triazole |
| Molecular Weight: | 413.33 |
| Molecular Formula: | C16 H21 Br N4 O2 S |
| Smiles: | CCn1cnnc1CCC1CCCN1S(c1cccc(c1)[Br])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4386 |
| logD: | 2.4383 |
| logSw: | -2.5917 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.796 |
| InChI Key: | GFHVNTQJQMVVEC-CQSZACIVSA-N |