3-(2-methylphenyl)-2-[(propan-2-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Chemical Structure Depiction of
3-(2-methylphenyl)-2-[(propan-2-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
3-(2-methylphenyl)-2-[(propan-2-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Compound characteristics
| Compound ID: | 3966-0432 |
| Compound Name: | 3-(2-methylphenyl)-2-[(propan-2-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one |
| Molecular Weight: | 416.58 |
| Molecular Formula: | C26 H28 N2 O S |
| Smiles: | CC(C)SC1=NC2=C(C(N1c1ccccc1C)=O)C1(CCCC1)Cc1ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 6.1809 |
| logD: | 6.1626 |
| logSw: | -5.4513 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.2742 |
| InChI Key: | JULFXHZNNXRJHY-UHFFFAOYSA-N |