3-[1-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-(propan-2-yl)propanamide
Chemical Structure Depiction of
3-[1-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-(propan-2-yl)propanamide
3-[1-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-(propan-2-yl)propanamide
Compound characteristics
| Compound ID: | L942-0051 |
| Compound Name: | 3-[1-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-(propan-2-yl)propanamide |
| Molecular Weight: | 482.54 |
| Molecular Formula: | C23 H23 F N6 O3 S |
| Smiles: | CC(C)NC(CCN1C(c2ccccc2n2c1nnc2SCC(Nc1ccc(cc1)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2746 |
| logD: | 2.2745 |
| logSw: | -3.1017 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.157 |
| InChI Key: | DFAYIHUSEMKVEP-UHFFFAOYSA-N |