3-(3-methylphenyl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Chemical Structure Depiction of
3-(3-methylphenyl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
3-(3-methylphenyl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Compound characteristics
| Compound ID: | 4222-0209 |
| Compound Name: | 3-(3-methylphenyl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one |
| Molecular Weight: | 442.62 |
| Molecular Formula: | C28 H30 N2 O S |
| Smiles: | CC(=C)CSC1=NC2=C(C(N1c1cccc(C)c1)=O)C1(CCCCC1)Cc1ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 6.9906 |
| logD: | 6.948 |
| logSw: | -5.5997 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.2092 |
| InChI Key: | YEIHTDXYIZTGEG-UHFFFAOYSA-N |