[(7-oxo-7,11-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-9-yl)sulfanyl]acetonitrile
Chemical Structure Depiction of
[(7-oxo-7,11-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-9-yl)sulfanyl]acetonitrile
[(7-oxo-7,11-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-9-yl)sulfanyl]acetonitrile
Compound characteristics
| Compound ID: | D325-0459 |
| Compound Name: | [(7-oxo-7,11-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-9-yl)sulfanyl]acetonitrile |
| Molecular Weight: | 377.47 |
| Molecular Formula: | C20 H19 N5 O S |
| Smiles: | C1CCC2(CC1)Cc1ccccc1C1=C2C(N2C(NN=C2SCC#N)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2824 |
| logD: | 2.4264 |
| logSw: | -3.5979 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.071 |
| InChI Key: | KHZIRJDZSZTMPI-UHFFFAOYSA-N |