3-(2-methylprop-2-en-1-yl)-2-[(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-phenylethyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
3-(2-methylprop-2-en-1-yl)-2-[(2-phenylethyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Compound characteristics
| Compound ID: | 4222-0153 |
| Compound Name: | 3-(2-methylprop-2-en-1-yl)-2-[(2-phenylethyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one |
| Molecular Weight: | 442.62 |
| Molecular Formula: | C28 H30 N2 O S |
| Smiles: | CC(=C)CN1C(=NC2=C(C1=O)C1(CCCC1)Cc1ccccc12)SCCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.7629 |
| logD: | 6.7629 |
| logSw: | -5.6832 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 26.1866 |
| InChI Key: | IJNUEJIBNAPDNG-UHFFFAOYSA-N |