3-(2-methylprop-2-en-1-yl)-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-(2-methylprop-2-en-1-yl)-2-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
3-(2-methylprop-2-en-1-yl)-2-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Compound characteristics
| Compound ID: | D325-0555 |
| Compound Name: | 3-(2-methylprop-2-en-1-yl)-2-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one |
| Molecular Weight: | 462.63 |
| Molecular Formula: | C26 H26 N2 O2 S2 |
| Smiles: | CC(=C)CN1C(=NC2=C(C1=O)C1(CCCC1)Cc1ccccc12)SCC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8756 |
| logD: | 5.8756 |
| logSw: | -5.4165 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.452 |
| InChI Key: | JUSNDTJHEBACPM-UHFFFAOYSA-N |