[4-({[4-(2-methoxyphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
[4-({[4-(2-methoxyphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone
[4-({[4-(2-methoxyphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | V003-3471 |
| Compound Name: | [4-({[4-(2-methoxyphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone |
| Molecular Weight: | 515.59 |
| Molecular Formula: | C27 H25 N5 O4 S |
| Salt: | not_available |
| Smiles: | COc1ccccc1n1c(c2ccc(cc2)[N+]([O-])=O)nnc1SCc1ccc(cc1)C(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4394 |
| logD: | 4.4393 |
| logSw: | -4.3468 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 82.438 |
| InChI Key: | JUACHRRRNCUBBS-UHFFFAOYSA-N |