4-ethyl-1-[(prop-2-en-1-yl)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-[(prop-2-en-1-yl)sulfanyl]-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
4-ethyl-1-[(prop-2-en-1-yl)sulfanyl]-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Compound characteristics
| Compound ID: | 5218-3140 |
| Compound Name: | 4-ethyl-1-[(prop-2-en-1-yl)sulfanyl]-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one |
| Molecular Weight: | 406.55 |
| Molecular Formula: | C23 H26 N4 O S |
| Smiles: | CCN1C(C2=C(c3ccccc3CC23CCCCC3)n2c1nnc2SCC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9273 |
| logD: | 4.9273 |
| logSw: | -4.5513 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.655 |
| InChI Key: | JEFZCYXNRJZCPV-UHFFFAOYSA-N |