3-({[2-(4-nitrophenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4-phenyl-5-(2-phenylethyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-({[2-(4-nitrophenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4-phenyl-5-(2-phenylethyl)-4H-1,2,4-triazole
3-({[2-(4-nitrophenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4-phenyl-5-(2-phenylethyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8018-0348 |
| Compound Name: | 3-({[2-(4-nitrophenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4-phenyl-5-(2-phenylethyl)-4H-1,2,4-triazole |
| Molecular Weight: | 499.61 |
| Molecular Formula: | C26 H21 N5 O2 S2 |
| Smiles: | C(Cc1nnc(n1c1ccccc1)SCc1csc(c2ccc(cc2)[N+]([O-])=O)n1)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.6085 |
| logD: | 6.6085 |
| logSw: | -6.3395 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.299 |
| InChI Key: | TZYMMVLVVUWCFT-UHFFFAOYSA-N |