3-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-5-[(4-nitrophenyl)methyl]-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-5-[(4-nitrophenyl)methyl]-4-phenyl-4H-1,2,4-triazole
3-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-5-[(4-nitrophenyl)methyl]-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8015-7449 |
| Compound Name: | 3-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-5-[(4-nitrophenyl)methyl]-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 423.51 |
| Molecular Formula: | C20 H17 N5 O2 S2 |
| Smiles: | Cc1nc(CSc2nnc(Cc3ccc(cc3)[N+]([O-])=O)n2c2ccccc2)cs1 |
| Stereo: | ACHIRAL |
| logP: | 4.4174 |
| logD: | 4.4174 |
| logSw: | -4.472 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.377 |
| InChI Key: | YVPNLEHKACMRHO-UHFFFAOYSA-N |