N-(3,5-dimethoxyphenyl)-2-{[4-(3-methylbutyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3,5-dimethoxyphenyl)-2-{[4-(3-methylbutyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide
N-(3,5-dimethoxyphenyl)-2-{[4-(3-methylbutyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F367-0107 |
| Compound Name: | N-(3,5-dimethoxyphenyl)-2-{[4-(3-methylbutyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide |
| Molecular Weight: | 481.57 |
| Molecular Formula: | C24 H27 N5 O4 S |
| Smiles: | CC(C)CCN1C(c2ccccc2n2c1nnc2SCC(Nc1cc(cc(c1)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0106 |
| logD: | 4.0105 |
| logSw: | -4.1819 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.799 |
| InChI Key: | CLFHGXLEUSJCAY-UHFFFAOYSA-N |