3-(2-methylprop-2-en-1-yl)-2-(propylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Chemical Structure Depiction of
3-(2-methylprop-2-en-1-yl)-2-(propylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
3-(2-methylprop-2-en-1-yl)-2-(propylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Compound characteristics
| Compound ID: | 4222-0139 |
| Compound Name: | 3-(2-methylprop-2-en-1-yl)-2-(propylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one |
| Molecular Weight: | 380.55 |
| Molecular Formula: | C23 H28 N2 O S |
| Smiles: | CCCSC1=NC2=C(C(N1CC(C)=C)=O)C1(CCCC1)Cc1ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 5.7044 |
| logD: | 5.7044 |
| logSw: | -5.3457 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 26.4582 |
| InChI Key: | RATDIGYLDHZURB-UHFFFAOYSA-N |