3-benzyl-2-[(2-phenylethyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Chemical Structure Depiction of
3-benzyl-2-[(2-phenylethyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
3-benzyl-2-[(2-phenylethyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Compound characteristics
| Compound ID: | Y508-9566 |
| Compound Name: | 3-benzyl-2-[(2-phenylethyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one |
| Molecular Weight: | 478.66 |
| Molecular Formula: | C31 H30 N2 O S |
| Smiles: | C1CCC2(C1)Cc1ccccc1C1=C2C(N(Cc2ccccc2)C(=N1)SCCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.2744 |
| logD: | 7.2744 |
| logSw: | -6.0912 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.9151 |
| InChI Key: | HHLSBRGVDLYWOH-UHFFFAOYSA-N |