[(3-butyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetonitrile
Chemical Structure Depiction of
[(3-butyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetonitrile
[(3-butyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetonitrile
Compound characteristics
| Compound ID: | D325-0552 |
| Compound Name: | [(3-butyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetonitrile |
| Molecular Weight: | 393.55 |
| Molecular Formula: | C23 H27 N3 O S |
| Smiles: | CCCCN1C(=NC2=C(C1=O)C1(CCCCC1)Cc1ccccc12)SCC#N |
| Stereo: | ACHIRAL |
| logP: | 4.9462 |
| logD: | 4.9461 |
| logSw: | -4.5394 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.562 |
| InChI Key: | VBOJWVNORTZLDI-UHFFFAOYSA-N |