[2-({[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
[2-({[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone
[2-({[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | V029-8005 |
| Compound Name: | [2-({[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone |
| Molecular Weight: | 410.56 |
| Molecular Formula: | C21 H22 N4 O S2 |
| Salt: | not_available |
| Smiles: | C=CCn1c(c2cccs2)nnc1SCc1ccccc1C(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3462 |
| logD: | 4.3462 |
| logSw: | -4.3465 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.252 |
| InChI Key: | PEKQGTLCLSHONF-UHFFFAOYSA-N |