2-(butylsulfanyl)-3-(4-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Chemical Structure Depiction of
2-(butylsulfanyl)-3-(4-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
2-(butylsulfanyl)-3-(4-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Compound characteristics
| Compound ID: | 4164-0117 |
| Compound Name: | 2-(butylsulfanyl)-3-(4-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one |
| Molecular Weight: | 444.64 |
| Molecular Formula: | C28 H32 N2 O S |
| Smiles: | CCCCSC1=NC2=C(C(N1c1ccc(C)cc1)=O)C1(CCCCC1)Cc1ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 7.2803 |
| logD: | 7.269 |
| logSw: | -5.6942 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.2092 |
| InChI Key: | CNUKQXXRPLTYIQ-UHFFFAOYSA-N |