5-[(3-methylbutyl)sulfanyl]-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazoline
Chemical Structure Depiction of
5-[(3-methylbutyl)sulfanyl]-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazoline
5-[(3-methylbutyl)sulfanyl]-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazoline
Compound characteristics
| Compound ID: | K280-0294 |
| Compound Name: | 5-[(3-methylbutyl)sulfanyl]-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazoline |
| Molecular Weight: | 393.47 |
| Molecular Formula: | C20 H19 N5 O2 S |
| Smiles: | CC(C)CCSc1nc2ccccc2c2nc(c3ccc(cc3)[N+]([O-])=O)nn12 |
| Stereo: | ACHIRAL |
| logP: | 5.6528 |
| logD: | 5.6311 |
| logSw: | -5.8693 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.45 |
| InChI Key: | VRXISWJHNPCKIN-UHFFFAOYSA-N |