3-[(4-methylphenyl)methyl]-2-[(propan-2-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Chemical Structure Depiction of
3-[(4-methylphenyl)methyl]-2-[(propan-2-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
3-[(4-methylphenyl)methyl]-2-[(propan-2-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Compound characteristics
| Compound ID: | 4232-0133 |
| Compound Name: | 3-[(4-methylphenyl)methyl]-2-[(propan-2-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one |
| Molecular Weight: | 444.64 |
| Molecular Formula: | C28 H32 N2 O S |
| Smiles: | CC(C)SC1=NC2=C(C(N1Cc1ccc(C)cc1)=O)C1(CCCCC1)Cc1ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 7.0967 |
| logD: | 7.0967 |
| logSw: | -5.526 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.8207 |
| InChI Key: | PFZSEMNLASAAIV-UHFFFAOYSA-N |