7-methyl-1-{[(2-methylphenyl)methyl]sulfanyl}-4-propyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
7-methyl-1-{[(2-methylphenyl)methyl]sulfanyl}-4-propyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
7-methyl-1-{[(2-methylphenyl)methyl]sulfanyl}-4-propyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F458-0203 |
| Compound Name: | 7-methyl-1-{[(2-methylphenyl)methyl]sulfanyl}-4-propyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 378.49 |
| Molecular Formula: | C21 H22 N4 O S |
| Smiles: | CCCN1C(c2cc(C)ccc2n2c1nnc2SCc1ccccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1178 |
| logD: | 5.1178 |
| logSw: | -4.8947 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.562 |
| InChI Key: | KJTFJIAAHNBNLH-UHFFFAOYSA-N |