[4-({[4-ethyl-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
[4-({[4-ethyl-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone
[4-({[4-ethyl-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | V027-3874 |
| Compound Name: | [4-({[4-ethyl-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone |
| Molecular Weight: | 358.5 |
| Molecular Formula: | C19 H26 N4 O S |
| Smiles: | CCn1c(C(C)C)nnc1SCc1ccc(cc1)C(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9391 |
| logD: | 2.9376 |
| logSw: | -3.1114 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.251 |
| InChI Key: | NJEDEMUAVJHNQI-UHFFFAOYSA-N |