[(3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)sulfanyl]acetonitrile
Chemical Structure Depiction of
[(3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)sulfanyl]acetonitrile
[(3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)sulfanyl]acetonitrile
Compound characteristics
| Compound ID: | 4222-0128 |
| Compound Name: | [(3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)sulfanyl]acetonitrile |
| Molecular Weight: | 351.47 |
| Molecular Formula: | C20 H21 N3 O S |
| Smiles: | CCN1C(=NC2=C(C1=O)C1(CCCC1)Cc1ccccc12)SCC#N |
| Stereo: | ACHIRAL |
| logP: | 3.5438 |
| logD: | 3.5437 |
| logSw: | -3.5933 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.675 |
| InChI Key: | UBOLBVLOPOHWKO-UHFFFAOYSA-N |