4-(4-methoxyphenyl)-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-(4-methoxyphenyl)-1-[(3-methylbutyl)sulfanyl]-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
4-(4-methoxyphenyl)-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: | IB05-8208 |
| Compound Name: | 4-(4-methoxyphenyl)-1-[(3-methylbutyl)sulfanyl]-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: | CC(C)CCSc1nnc2N(C(C3=C(c4ccccc4CC34CCCCC4)n12)=O)c1ccc(cc1)OC |
| Stereo: | ACHIRAL |
| logP: | 6.54 |
| logD: | 6.54 |
| logSw: | -7.58 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 104.97 |
| InChI Key: | PTDUNBPPYWCOBH-UHFFFAOYSA-N |