4-(4-methoxyphenyl)-1-(methylsulfanyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Chemical Structure Depiction of
4-(4-methoxyphenyl)-1-(methylsulfanyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
4-(4-methoxyphenyl)-1-(methylsulfanyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Compound characteristics
| Compound ID: | 4232-0029 |
| Compound Name: | 4-(4-methoxyphenyl)-1-(methylsulfanyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one |
| Molecular Weight: | 458.58 |
| Molecular Formula: | C26 H26 N4 O2 S |
| Smiles: | COc1ccc(cc1)N1C(C2=C(c3ccccc3CC23CCCCC3)n2c1nnc2SC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0706 |
| logD: | 5.0706 |
| logSw: | -4.6514 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.591 |
| InChI Key: | JIJFNTBTUNIYIY-UHFFFAOYSA-N |