3-(2-methylprop-2-en-1-yl)-2-sulfanylidene-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-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'-cyclopentan]-4(6H)-one
3-(2-methylprop-2-en-1-yl)-2-sulfanylidene-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Compound characteristics
| Compound ID: | 4222-0100 |
| Compound Name: | 3-(2-methylprop-2-en-1-yl)-2-sulfanylidene-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one |
| Molecular Weight: | 338.47 |
| Molecular Formula: | C20 H22 N2 O S |
| Smiles: | CC(=C)CN1C(C2=C(c3ccccc3CC23CCCC3)NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2657 |
| logD: | 4.2392 |
| logSw: | -4.2505 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.7335 |
| InChI Key: | KZWIYKMCOQVVRU-UHFFFAOYSA-N |