1-{[(3-methoxyphenyl)methyl]sulfanyl}-4-[(4-methylphenyl)methyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
1-{[(3-methoxyphenyl)methyl]sulfanyl}-4-[(4-methylphenyl)methyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
1-{[(3-methoxyphenyl)methyl]sulfanyl}-4-[(4-methylphenyl)methyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F458-0118 |
| Compound Name: | 1-{[(3-methoxyphenyl)methyl]sulfanyl}-4-[(4-methylphenyl)methyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 442.54 |
| Molecular Formula: | C25 H22 N4 O2 S |
| Smiles: | Cc1ccc(CN2C(c3ccccc3n3c2nnc3SCc2cccc(c2)OC)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9757 |
| logD: | 4.9757 |
| logSw: | -4.6789 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.856 |
| InChI Key: | MPQQSOFYJWDMDX-UHFFFAOYSA-N |