3-(2-methylprop-2-en-1-yl)-2-(methylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Chemical Structure Depiction of
3-(2-methylprop-2-en-1-yl)-2-(methylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
3-(2-methylprop-2-en-1-yl)-2-(methylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Compound characteristics
| Compound ID: | 4222-0095 |
| Compound Name: | 3-(2-methylprop-2-en-1-yl)-2-(methylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one |
| Molecular Weight: | 366.52 |
| Molecular Formula: | C22 H26 N2 O S |
| Smiles: | CC(=C)CN1C(=NC2=C(C1=O)C1(CCCCC1)Cc1ccccc12)SC |
| Stereo: | ACHIRAL |
| logP: | 5.259 |
| logD: | 5.259 |
| logSw: | -4.8741 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 26.0922 |
| InChI Key: | KDQYXSYYLSDMAF-UHFFFAOYSA-N |