5-{[(4-tert-butylphenyl)methyl]sulfanyl}-2-(3-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazoline
Chemical Structure Depiction of
5-{[(4-tert-butylphenyl)methyl]sulfanyl}-2-(3-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazoline
5-{[(4-tert-butylphenyl)methyl]sulfanyl}-2-(3-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazoline
Compound characteristics
| Compound ID: | K280-0198 |
| Compound Name: | 5-{[(4-tert-butylphenyl)methyl]sulfanyl}-2-(3-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazoline |
| Molecular Weight: | 469.56 |
| Molecular Formula: | C26 H23 N5 O2 S |
| Smiles: | CC(C)(C)c1ccc(CSc2nc3ccccc3c3nc(c4cccc(c4)[N+]([O-])=O)nn23)cc1 |
| Stereo: | ACHIRAL |
| logP: | 7.1993 |
| logD: | 7.1982 |
| logSw: | -6.079 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.179 |
| InChI Key: | KQKSUOCURJRWBB-UHFFFAOYSA-N |