2-(3-nitrophenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline
Chemical Structure Depiction of
2-(3-nitrophenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline
2-(3-nitrophenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline
Compound characteristics
| Compound ID: | K280-0204 |
| Compound Name: | 2-(3-nitrophenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline |
| Molecular Weight: | 458.45 |
| Molecular Formula: | C22 H14 N6 O4 S |
| Smiles: | C(c1ccc(cc1)[N+]([O-])=O)Sc1nc2ccccc2c2nc(c3cccc(c3)[N+]([O-])=O)nn12 |
| Stereo: | ACHIRAL |
| logP: | 5.3305 |
| logD: | 5.3293 |
| logSw: | -6.1095 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 96.56 |
| InChI Key: | HHBOOVOHYVIHBU-UHFFFAOYSA-N |