3-[(furan-2-yl)methyl]-2-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Chemical Structure Depiction of
3-[(furan-2-yl)methyl]-2-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
3-[(furan-2-yl)methyl]-2-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Compound characteristics
| Compound ID: | D325-0556 |
| Compound Name: | 3-[(furan-2-yl)methyl]-2-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one |
| Molecular Weight: | 488.63 |
| Molecular Formula: | C27 H24 N2 O3 S2 |
| Smiles: | C1CCC2(C1)Cc1ccccc1C1=C2C(N(Cc2ccco2)C(=N1)SCC(c1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6406 |
| logD: | 5.6405 |
| logSw: | -5.7017 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.929 |
| InChI Key: | PQKNHKVCYFGYRH-UHFFFAOYSA-N |