[2-({[4-benzyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
[2-({[4-benzyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone
[2-({[4-benzyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | V003-3254 |
| Compound Name: | [2-({[4-benzyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone |
| Molecular Weight: | 484.62 |
| Molecular Formula: | C28 H28 N4 O2 S |
| Salt: | not_available |
| Smiles: | COc1cccc(c1)c1nnc(n1Cc1ccccc1)SCc1ccccc1C(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6385 |
| logD: | 5.6385 |
| logSw: | -5.4792 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.527 |
| InChI Key: | FMCKCNZNJORURJ-UHFFFAOYSA-N |