{[2-(3-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetonitrile
Chemical Structure Depiction of
{[2-(3-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetonitrile
{[2-(3-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetonitrile
Compound characteristics
| Compound ID: | K280-0207 |
| Compound Name: | {[2-(3-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetonitrile |
| Molecular Weight: | 362.37 |
| Molecular Formula: | C17 H10 N6 O2 S |
| Smiles: | C(C#N)Sc1nc2ccccc2c2nc(c3cccc(c3)[N+]([O-])=O)nn12 |
| Stereo: | ACHIRAL |
| logP: | 3.6688 |
| logD: | 3.6675 |
| logSw: | -4.2429 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 80.942 |
| InChI Key: | TXDGKNGTWFIAQB-UHFFFAOYSA-N |