3-[1-{[(3,5-difluorophenyl)methyl]sulfanyl}-7-methyl-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-(propan-2-yl)propanamide
Chemical Structure Depiction of
3-[1-{[(3,5-difluorophenyl)methyl]sulfanyl}-7-methyl-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-(propan-2-yl)propanamide
3-[1-{[(3,5-difluorophenyl)methyl]sulfanyl}-7-methyl-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-(propan-2-yl)propanamide
Compound characteristics
| Compound ID: | L942-0251 |
| Compound Name: | 3-[1-{[(3,5-difluorophenyl)methyl]sulfanyl}-7-methyl-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-(propan-2-yl)propanamide |
| Molecular Weight: | 471.53 |
| Molecular Formula: | C23 H23 F2 N5 O2 S |
| Smiles: | CC(C)NC(CCN1C(c2cc(C)ccc2n2c1nnc2SCc1cc(cc(c1)F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8887 |
| logD: | 3.8887 |
| logSw: | -3.8589 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.008 |
| InChI Key: | JZUKTSWMWGLBIG-UHFFFAOYSA-N |