[(3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)sulfanyl]acetonitrile
Chemical Structure Depiction of
[(3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)sulfanyl]acetonitrile
[(3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)sulfanyl]acetonitrile
Compound characteristics
| Compound ID: | Y500-8090 |
| Compound Name: | [(3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)sulfanyl]acetonitrile |
| Molecular Weight: | 413.54 |
| Molecular Formula: | C25 H23 N3 O S |
| Smiles: | C1CCC2(C1)Cc1ccccc1C1=C2C(N(Cc2ccccc2)C(=N1)SCC#N)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8459 |
| logD: | 4.8459 |
| logSw: | -4.852 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.679 |
| InChI Key: | LNICWXVJNSREIV-UHFFFAOYSA-N |