{4-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl}(pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
{4-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl}(pyrrolidin-1-yl)methanone
{4-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl}(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | 8011-1345 |
| Compound Name: | {4-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl}(pyrrolidin-1-yl)methanone |
| Molecular Weight: | 485.56 |
| Molecular Formula: | C26 H23 N5 O3 S |
| Smiles: | C1CCN(C1)C(c1ccc(c(c1)[N+]([O-])=O)Sc1nnc(Cc2ccccc2)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7981 |
| logD: | 4.7981 |
| logSw: | -4.9718 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.784 |
| InChI Key: | RFGAHLOPQGBNGD-UHFFFAOYSA-N |