3-(2-methylprop-2-en-1-yl)-2-sulfanylidene-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Chemical Structure Depiction of
3-(2-methylprop-2-en-1-yl)-2-sulfanylidene-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
3-(2-methylprop-2-en-1-yl)-2-sulfanylidene-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Compound characteristics
Compound ID: | 4222-0102 |
Compound Name: | 3-(2-methylprop-2-en-1-yl)-2-sulfanylidene-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one |
Molecular Weight: | 352.5 |
Molecular Formula: | C21 H24 N2 O S |
Smiles: | CC(=C)CN1C(C2=C(c3ccccc3CC23CCCCC3)NC1=S)=O |
Stereo: | ACHIRAL |
logP: | 4.7044 |
logD: | 4.6779 |
logSw: | -4.2912 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 27.3676 |
InChI Key: | VOSLPTBXRHDNEW-UHFFFAOYSA-N |