3-benzyl-2-(methylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Chemical Structure Depiction of
3-benzyl-2-(methylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
3-benzyl-2-(methylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Compound characteristics
| Compound ID: | 5763-0109 |
| Compound Name: | 3-benzyl-2-(methylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one |
| Molecular Weight: | 388.53 |
| Molecular Formula: | C24 H24 N2 O S |
| Smiles: | CSC1=NC2=C(C(N1Cc1ccccc1)=O)C1(CCCC1)Cc1ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 5.3318 |
| logD: | 5.3318 |
| logSw: | -5.1742 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 26.1866 |
| InChI Key: | ZKTTUOTVHBUTQV-UHFFFAOYSA-N |