1-(butylsulfanyl)-4-[(4-methoxyphenyl)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-[(4-methoxyphenyl)methyl]-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
1-(butylsulfanyl)-4-[(4-methoxyphenyl)methyl]-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Compound characteristics
| Compound ID: | 4222-0283 |
| Compound Name: | 1-(butylsulfanyl)-4-[(4-methoxyphenyl)methyl]-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one |
| Molecular Weight: | 514.69 |
| Molecular Formula: | C30 H34 N4 O2 S |
| Smiles: | CCCCSc1nnc2N(Cc3ccc(cc3)OC)C(C3=C(c4ccccc4CC34CCCCC4)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 6.9702 |
| logD: | 6.9702 |
| logSw: | -5.7302 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.202 |
| InChI Key: | XYSCGQGDNUXHAC-UHFFFAOYSA-N |