3-{[(4-nitrophenyl)methyl]sulfanyl}-5,6-diphenyl-1,2,4-triazine
Chemical Structure Depiction of
3-{[(4-nitrophenyl)methyl]sulfanyl}-5,6-diphenyl-1,2,4-triazine
3-{[(4-nitrophenyl)methyl]sulfanyl}-5,6-diphenyl-1,2,4-triazine
Compound characteristics
| Compound ID: | 2680-0394 |
| Compound Name: | 3-{[(4-nitrophenyl)methyl]sulfanyl}-5,6-diphenyl-1,2,4-triazine |
| Molecular Weight: | 400.46 |
| Molecular Formula: | C22 H16 N4 O2 S |
| Smiles: | C(c1ccc(cc1)[N+]([O-])=O)Sc1nc(c2ccccc2)c(c2ccccc2)nn1 |
| Stereo: | ACHIRAL |
| logP: | 4.6731 |
| logD: | 4.6731 |
| logSw: | -4.7459 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.767 |
| InChI Key: | BAVJBMBARHMHRA-UHFFFAOYSA-N |