3-[7-chloro-1-{[(3,5-difluorophenyl)methyl]sulfanyl}-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-(propan-2-yl)propanamide
Chemical Structure Depiction of
3-[7-chloro-1-{[(3,5-difluorophenyl)methyl]sulfanyl}-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-(propan-2-yl)propanamide
3-[7-chloro-1-{[(3,5-difluorophenyl)methyl]sulfanyl}-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-(propan-2-yl)propanamide
Compound characteristics
| Compound ID: | L942-0260 |
| Compound Name: | 3-[7-chloro-1-{[(3,5-difluorophenyl)methyl]sulfanyl}-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-(propan-2-yl)propanamide |
| Molecular Weight: | 491.95 |
| Molecular Formula: | C22 H20 Cl F2 N5 O2 S |
| Smiles: | CC(C)NC(CCN1C(c2cc(ccc2n2c1nnc2SCc1cc(cc(c1)F)F)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1631 |
| logD: | 4.1631 |
| logSw: | -4.4643 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.008 |
| InChI Key: | CCGXCYOWNIGNCV-UHFFFAOYSA-N |