4-(3-methylphenyl)-1-sulfanyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Chemical Structure Depiction of
4-(3-methylphenyl)-1-sulfanyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
4-(3-methylphenyl)-1-sulfanyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Compound characteristics
| Compound ID: | 8012-7170 |
| Compound Name: | 4-(3-methylphenyl)-1-sulfanyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one |
| Molecular Weight: | 428.56 |
| Molecular Formula: | C25 H24 N4 O S |
| Smiles: | Cc1cccc(c1)N1C(C2=C(c3ccccc3CC23CCCCC3)n2c1nnc2S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9973 |
| logD: | 3.2489 |
| logSw: | -4.5898 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.521 |
| InChI Key: | JZLDYFUDNOLZAT-UHFFFAOYSA-N |