1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-7-methyl-4-{3-[(propan-2-yl)oxy]propyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-7-methyl-4-{3-[(propan-2-yl)oxy]propyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-7-methyl-4-{3-[(propan-2-yl)oxy]propyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F458-0264 |
| Compound Name: | 1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-7-methyl-4-{3-[(propan-2-yl)oxy]propyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 450.6 |
| Molecular Formula: | C25 H30 N4 O2 S |
| Smiles: | CC(C)OCCCN1C(c2cc(C)ccc2n2c1nnc2SCc1cc(C)ccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4241 |
| logD: | 5.4241 |
| logSw: | -5.2243 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.763 |
| InChI Key: | ZHCDRYVCOURHTR-UHFFFAOYSA-N |