[(4-oxo-3-phenyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetonitrile
Chemical Structure Depiction of
[(4-oxo-3-phenyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetonitrile
[(4-oxo-3-phenyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetonitrile
Compound characteristics
| Compound ID: | 2752-0221 |
| Compound Name: | [(4-oxo-3-phenyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetonitrile |
| Molecular Weight: | 413.54 |
| Molecular Formula: | C25 H23 N3 O S |
| Smiles: | C1CCC2(CC1)Cc1ccccc1C1=C2C(N(C(=N1)SCC#N)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6811 |
| logD: | 4.6146 |
| logSw: | -4.717 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.701 |
| InChI Key: | HLXRYSAESDMHOF-UHFFFAOYSA-N |