{[4-oxo-3-(prop-2-en-1-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetonitrile
Chemical Structure Depiction of
{[4-oxo-3-(prop-2-en-1-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetonitrile
{[4-oxo-3-(prop-2-en-1-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetonitrile
Compound characteristics
| Compound ID: | 4184-0077 |
| Compound Name: | {[4-oxo-3-(prop-2-en-1-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetonitrile |
| Molecular Weight: | 377.51 |
| Molecular Formula: | C22 H23 N3 O S |
| Smiles: | C=CCN1C(=NC2=C(C1=O)C1(CCCCC1)Cc1ccccc12)SCC#N |
| Stereo: | ACHIRAL |
| logP: | 4.1685 |
| logD: | 4.1685 |
| logSw: | -4.3159 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.562 |
| InChI Key: | XPYKTELUWLOTBJ-UHFFFAOYSA-N |