1-{[(3-methoxyphenyl)methyl]sulfanyl}-7-methyl-4-(3-methylbutyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
1-{[(3-methoxyphenyl)methyl]sulfanyl}-7-methyl-4-(3-methylbutyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
1-{[(3-methoxyphenyl)methyl]sulfanyl}-7-methyl-4-(3-methylbutyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F458-0251 |
| Compound Name: | 1-{[(3-methoxyphenyl)methyl]sulfanyl}-7-methyl-4-(3-methylbutyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 422.55 |
| Molecular Formula: | C23 H26 N4 O2 S |
| Smiles: | CC(C)CCN1C(c2cc(C)ccc2n2c1nnc2SCc1cccc(c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1624 |
| logD: | 5.1624 |
| logSw: | -4.9308 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.106 |
| InChI Key: | JKASQSPCVKPHSY-UHFFFAOYSA-N |