{4-[(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl}(pyridin-2-yl)methanone
Chemical Structure Depiction of
{4-[(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl}(pyridin-2-yl)methanone
{4-[(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl}(pyridin-2-yl)methanone
Compound characteristics
| Compound ID: | 8016-9043 |
| Compound Name: | {4-[(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl}(pyridin-2-yl)methanone |
| Molecular Weight: | 431.47 |
| Molecular Formula: | C22 H17 N5 O3 S |
| Smiles: | Cn1c(Cc2ccccc2)nnc1Sc1ccc(cc1[N+]([O-])=O)C(c1ccccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.082 |
| logD: | 4.082 |
| logSw: | -4.4098 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.622 |
| InChI Key: | OLUYFRBQERJHGP-UHFFFAOYSA-N |