3-(3-methylphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Chemical Structure Depiction of
3-(3-methylphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
3-(3-methylphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Compound characteristics
| Compound ID: | IB06-8197 |
| Compound Name: | 3-(3-methylphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one |
| Molecular Weight: | 492.68 |
| Molecular Formula: | C32 H32 N2 O S |
| Smiles: | Cc1cccc(CSC2=NC3=C(C(N2c2cccc(C)c2)=O)C2(CCCCC2)Cc2ccccc23)c1 |
| Stereo: | ACHIRAL |
| logP: | 7.96 |
| logD: | 7.96 |
| logSw: | -7.74 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 54.68 |
| InChI Key: | RHLZKWCGLWCSSQ-UHFFFAOYSA-N |