3-(4-methylphenyl)-2-(methylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Chemical Structure Depiction of
3-(4-methylphenyl)-2-(methylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
3-(4-methylphenyl)-2-(methylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Compound characteristics
| Compound ID: | 4164-0115 |
| Compound Name: | 3-(4-methylphenyl)-2-(methylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one |
| Molecular Weight: | 402.56 |
| Molecular Formula: | C25 H26 N2 O S |
| Smiles: | Cc1ccc(cc1)N1C(=NC2=C(C1=O)C1(CCCCC1)Cc1ccccc12)SC |
| Stereo: | ACHIRAL |
| logP: | 5.712 |
| logD: | 5.6455 |
| logSw: | -5.2883 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.2092 |
| InChI Key: | QCZNPFNCBDJERF-UHFFFAOYSA-N |