1-{[(4-ethenylphenyl)methyl]sulfanyl}-4-(3-methylbutyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
1-{[(4-ethenylphenyl)methyl]sulfanyl}-4-(3-methylbutyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
1-{[(4-ethenylphenyl)methyl]sulfanyl}-4-(3-methylbutyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F458-0049 |
| Compound Name: | 1-{[(4-ethenylphenyl)methyl]sulfanyl}-4-(3-methylbutyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 404.53 |
| Molecular Formula: | C23 H24 N4 O S |
| Smiles: | CC(C)CCN1C(c2ccccc2n2c1nnc2SCc1ccc(C=C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7904 |
| logD: | 4.7904 |
| logSw: | -4.4239 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.562 |
| InChI Key: | TWKBNRGKCUTHFK-UHFFFAOYSA-N |