4-(4-methylphenyl)-1-[(2-phenylethyl)sulfanyl]-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Chemical Structure Depiction of
4-(4-methylphenyl)-1-[(2-phenylethyl)sulfanyl]-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
4-(4-methylphenyl)-1-[(2-phenylethyl)sulfanyl]-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Compound characteristics
| Compound ID: | IB08-9700 |
| Compound Name: | 4-(4-methylphenyl)-1-[(2-phenylethyl)sulfanyl]-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one |
| Molecular Weight: | 532.71 |
| Molecular Formula: | C33 H32 N4 O S |
| Smiles: | Cc1ccc(cc1)N1C(C2=C(c3ccccc3CC23CCCCC3)n2c1nnc2SCCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.3 |
| logD: | 7.3 |
| logSw: | -7.93 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 91.33 |
| InChI Key: | DPUIXUVMXJXCJR-UHFFFAOYSA-N |