1-(butylsulfanyl)-4-methyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Chemical Structure Depiction of
1-(butylsulfanyl)-4-methyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
1-(butylsulfanyl)-4-methyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Compound characteristics
| Compound ID: | 5218-3204 |
| Compound Name: | 1-(butylsulfanyl)-4-methyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one |
| Molecular Weight: | 408.56 |
| Molecular Formula: | C23 H28 N4 O S |
| Smiles: | CCCCSc1nnc2N(C)C(C3=C(c4ccccc4CC34CCCCC4)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1417 |
| logD: | 5.1417 |
| logSw: | -4.9135 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.696 |
| InChI Key: | ZRNUODIQZSFIJP-UHFFFAOYSA-N |