3-(2-phenylethyl)-2-[(prop-2-yn-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Chemical Structure Depiction of
3-(2-phenylethyl)-2-[(prop-2-yn-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
3-(2-phenylethyl)-2-[(prop-2-yn-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Compound characteristics
| Compound ID: | 4184-0128 |
| Compound Name: | 3-(2-phenylethyl)-2-[(prop-2-yn-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one |
| Molecular Weight: | 426.58 |
| Molecular Formula: | C27 H26 N2 O S |
| Smiles: | C#CCSC1=NC2=C(C(N1CCc1ccccc1)=O)C1(CCCC1)Cc1ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 5.7107 |
| logD: | 5.7106 |
| logSw: | -5.7586 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 26.165 |
| InChI Key: | RKTQAEYXBXWLHU-UHFFFAOYSA-N |