2-{[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3-methylquinoxaline
Chemical Structure Depiction of
2-{[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3-methylquinoxaline
2-{[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3-methylquinoxaline
Compound characteristics
| Compound ID: | 8014-9905 |
| Compound Name: | 2-{[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3-methylquinoxaline |
| Molecular Weight: | 423.54 |
| Molecular Formula: | C25 H21 N5 S |
| Smiles: | Cc1c(CSc2nnc(Cc3ccccc3)n2c2ccccc2)nc2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 5.0218 |
| logD: | 5.0214 |
| logSw: | -4.7832 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.464 |
| InChI Key: | JABOOCZCMYYZKS-UHFFFAOYSA-N |