[3-({[4-(2-fluorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
[3-({[4-(2-fluorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone
[3-({[4-(2-fluorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | V029-8161 |
| Compound Name: | [3-({[4-(2-fluorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone |
| Molecular Weight: | 488.58 |
| Molecular Formula: | C27 H25 F N4 O2 S |
| Salt: | not_available |
| Smiles: | COc1cccc(c1)c1nnc(n1c1ccccc1F)SCc1cccc(c1)C(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9586 |
| logD: | 4.9586 |
| logSw: | -4.701 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.97 |
| InChI Key: | YIIFLFJDNOSKBD-UHFFFAOYSA-N |