1-{2-methyl-5-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl}-1H-tetrazole
Chemical Structure Depiction of
1-{2-methyl-5-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl}-1H-tetrazole
1-{2-methyl-5-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl}-1H-tetrazole
Compound characteristics
| Compound ID: | 8018-3794 |
| Compound Name: | 1-{2-methyl-5-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl}-1H-tetrazole |
| Molecular Weight: | 394.41 |
| Molecular Formula: | C17 H14 N8 O2 S |
| Smiles: | Cc1cc(c(cc1n1cnnn1)Sc1nnc(C)n1c1ccccc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1594 |
| logD: | 3.1594 |
| logSw: | -3.4489 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 98.306 |
| InChI Key: | KMRISBNWJXGJHP-UHFFFAOYSA-N |