3-[1-{[2-(2,3-dimethylanilino)-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-(2,3-dimethylanilino)-2-oxoethyl]sulfanyl}-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-(propan-2-yl)propanamide
3-[1-{[2-(2,3-dimethylanilino)-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: | L942-0066 |
Compound Name: | 3-[1-{[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanyl}-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-(propan-2-yl)propanamide |
Molecular Weight: | 492.6 |
Molecular Formula: | C25 H28 N6 O3 S |
Smiles: | CC(C)NC(CCN1C(c2ccccc2n2c1nnc2SCC(Nc1cccc(C)c1C)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.876 |
logD: | 2.876 |
logSw: | -3.5868 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 85.459 |
InChI Key: | WIEAEMSWPSNHLP-UHFFFAOYSA-N |