3-(2-methylprop-2-en-1-yl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Chemical Structure Depiction of
3-(2-methylprop-2-en-1-yl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
3-(2-methylprop-2-en-1-yl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Compound characteristics
| Compound ID: | 4222-0156 |
| Compound Name: | 3-(2-methylprop-2-en-1-yl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one |
| Molecular Weight: | 456.61 |
| Molecular Formula: | C28 H28 N2 O2 S |
| Smiles: | CC(=C)CN1C(=NC2=C(C1=O)C1(CCCC1)Cc1ccccc12)SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.768 |
| logD: | 5.768 |
| logSw: | -5.4687 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.434 |
| InChI Key: | OKCKVANWUBAZAF-UHFFFAOYSA-N |