1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F458-0029 |
| Compound Name: | 1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 392.52 |
| Molecular Formula: | C22 H24 N4 O S |
| Smiles: | CC(C)CN1C(c2ccccc2n2c1nnc2SCc1cc(C)ccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3638 |
| logD: | 5.3638 |
| logSw: | -5.3038 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.583 |
| InChI Key: | MQTIPVGPFSSJSW-UHFFFAOYSA-N |