[2-({[4-(prop-2-en-1-yl)-5-(pyridin-3-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-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone
[2-({[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | V027-9813 |
| Compound Name: | [2-({[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone |
| Molecular Weight: | 405.52 |
| Molecular Formula: | C22 H23 N5 O S |
| Smiles: | C=CCn1c(c2cccnc2)nnc1SCc1ccccc1C(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1452 |
| logD: | 3.1327 |
| logSw: | -3.2288 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.751 |
| InChI Key: | KWMOJLDIUWDHHV-UHFFFAOYSA-N |