2-{[4-(3-methylbutyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}-N-(propan-2-yl)acetamide
Chemical Structure Depiction of
2-{[4-(3-methylbutyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}-N-(propan-2-yl)acetamide
2-{[4-(3-methylbutyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}-N-(propan-2-yl)acetamide
Compound characteristics
| Compound ID: | F367-0111 |
| Compound Name: | 2-{[4-(3-methylbutyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}-N-(propan-2-yl)acetamide |
| Molecular Weight: | 387.5 |
| Molecular Formula: | C19 H25 N5 O2 S |
| Smiles: | CC(C)CCN1C(c2ccccc2n2c1nnc2SCC(NC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6311 |
| logD: | 2.6311 |
| logSw: | -3.3296 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.279 |
| InChI Key: | HSOUZGVVFKEAEY-UHFFFAOYSA-N |