3-[(furan-2-yl)methyl]-2-{[(2-methylphenyl)methyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Chemical Structure Depiction of
3-[(furan-2-yl)methyl]-2-{[(2-methylphenyl)methyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
3-[(furan-2-yl)methyl]-2-{[(2-methylphenyl)methyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Compound characteristics
| Compound ID: | D325-0563 |
| Compound Name: | 3-[(furan-2-yl)methyl]-2-{[(2-methylphenyl)methyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one |
| Molecular Weight: | 468.62 |
| Molecular Formula: | C29 H28 N2 O2 S |
| Smiles: | Cc1ccccc1CSC1=NC2=C(C(N1Cc1ccco1)=O)C1(CCCC1)Cc1ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 6.913 |
| logD: | 6.9129 |
| logSw: | -5.6694 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.664 |
| InChI Key: | XJBDOMVGEGDCQR-UHFFFAOYSA-N |