2-(ethylsulfanyl)-3-(4-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Chemical Structure Depiction of
2-(ethylsulfanyl)-3-(4-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
2-(ethylsulfanyl)-3-(4-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Compound characteristics
| Compound ID: | 4164-0116 |
| Compound Name: | 2-(ethylsulfanyl)-3-(4-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one |
| Molecular Weight: | 416.58 |
| Molecular Formula: | C26 H28 N2 O S |
| Smiles: | CCSC1=NC2=C(C(N1c1ccc(C)cc1)=O)C1(CCCCC1)Cc1ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 6.2253 |
| logD: | 6.176 |
| logSw: | -5.3215 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.2092 |
| InChI Key: | XTIYPSLQVIKETP-UHFFFAOYSA-N |