4-(4-methoxyphenyl)-1-[(propan-2-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-(4-methoxyphenyl)-1-[(propan-2-yl)sulfanyl]-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
4-(4-methoxyphenyl)-1-[(propan-2-yl)sulfanyl]-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Compound characteristics
| Compound ID: | 4222-0277 |
| Compound Name: | 4-(4-methoxyphenyl)-1-[(propan-2-yl)sulfanyl]-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one |
| Molecular Weight: | 486.64 |
| Molecular Formula: | C28 H30 N4 O2 S |
| Smiles: | CC(C)Sc1nnc2N(C(C3=C(c4ccccc4CC34CCCCC4)n12)=O)c1ccc(cc1)OC |
| Stereo: | ACHIRAL |
| logP: | 5.8748 |
| logD: | 5.8748 |
| logSw: | -5.37 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.591 |
| InChI Key: | IZRLAIPQWMWETH-UHFFFAOYSA-N |