3-(2-methylphenyl)-2-(methylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Chemical Structure Depiction of
3-(2-methylphenyl)-2-(methylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
3-(2-methylphenyl)-2-(methylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Compound characteristics
| Compound ID: | 4222-0226 |
| Compound Name: | 3-(2-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: | Cc1ccccc1N1C(=NC2=C(C1=O)C1(CCCCC1)Cc1ccccc12)SC |
| Stereo: | ACHIRAL |
| logP: | 5.7167 |
| logD: | 5.6391 |
| logSw: | -5.288 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 24.9082 |
| InChI Key: | CMRYJALRRHKBSC-UHFFFAOYSA-N |