[(7-oxo-7,11-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-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'-cyclopentan]-9-yl)sulfanyl]acetonitrile
[(7-oxo-7,11-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-9-yl)sulfanyl]acetonitrile
Compound characteristics
| Compound ID: | D325-0547 |
| Compound Name: | [(7-oxo-7,11-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-9-yl)sulfanyl]acetonitrile |
| Molecular Weight: | 363.44 |
| Molecular Formula: | C19 H17 N5 O S |
| Smiles: | C1CCC2(C1)Cc1ccccc1C1=C2C(N2C(NN=C2SCC#N)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8437 |
| logD: | 1.9877 |
| logSw: | -3.5208 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.437 |
| InChI Key: | GVDZSYOTNXFQFR-UHFFFAOYSA-N |