2-(benzylsulfanyl)-3-(4-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Chemical Structure Depiction of
2-(benzylsulfanyl)-3-(4-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
2-(benzylsulfanyl)-3-(4-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Compound characteristics
| Compound ID: | Y508-0720 |
| Compound Name: | 2-(benzylsulfanyl)-3-(4-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one |
| Molecular Weight: | 478.66 |
| Molecular Formula: | C31 H30 N2 O S |
| Smiles: | Cc1ccc(cc1)N1C(=NC2=C(C1=O)C1(CCCCC1)Cc1ccccc12)SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.9621 |
| logD: | 6.9031 |
| logSw: | -5.6034 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 24.9376 |
| InChI Key: | ZZXOQVCEGMRCMR-UHFFFAOYSA-N |