4-ethyl-1-[(3-methylbutyl)sulfanyl]-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Chemical Structure Depiction of
4-ethyl-1-[(3-methylbutyl)sulfanyl]-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
4-ethyl-1-[(3-methylbutyl)sulfanyl]-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Compound characteristics
| Compound ID: | 5218-3138 |
| Compound Name: | 4-ethyl-1-[(3-methylbutyl)sulfanyl]-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one |
| Molecular Weight: | 436.62 |
| Molecular Formula: | C25 H32 N4 O S |
| Smiles: | CCN1C(C2=C(c3ccccc3CC23CCCCC3)n2c1nnc2SCCC(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7408 |
| logD: | 5.7408 |
| logSw: | -5.2276 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.655 |
| InChI Key: | HGQYSWLLAFOCOC-UHFFFAOYSA-N |