[2-({[4-(4-methoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
[2-({[4-(4-methoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone
[2-({[4-(4-methoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | V030-6909 |
| Compound Name: | [2-({[4-(4-methoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone |
| Molecular Weight: | 471.58 |
| Molecular Formula: | C26 H25 N5 O2 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)n1c(c2cccnc2)nnc1SCc1ccccc1C(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8739 |
| logD: | 3.8697 |
| logSw: | -3.7432 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.788 |
| InChI Key: | CJJUQAHWJXIIRG-UHFFFAOYSA-N |