3-(2-methylphenyl)-2-(propylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Chemical Structure Depiction of
3-(2-methylphenyl)-2-(propylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
3-(2-methylphenyl)-2-(propylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Compound characteristics
| Compound ID: | 4222-0185 |
| Compound Name: | 3-(2-methylphenyl)-2-(propylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one |
| Molecular Weight: | 430.61 |
| Molecular Formula: | C27 H30 N2 O S |
| Smiles: | CCCSC1=NC2=C(C(N1c1ccccc1C)=O)C1(CCCCC1)Cc1ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 6.6008 |
| logD: | 6.5694 |
| logSw: | -5.6159 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 24.9082 |
| InChI Key: | NODVRVULYHUWEL-UHFFFAOYSA-N |