3-[1,5-dioxo-2-(2-oxo-2-{[(thiophen-2-yl)methyl]amino}ethyl)-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-(2-methylpropyl)propanamide
Chemical Structure Depiction of
3-[1,5-dioxo-2-(2-oxo-2-{[(thiophen-2-yl)methyl]amino}ethyl)-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-(2-methylpropyl)propanamide
3-[1,5-dioxo-2-(2-oxo-2-{[(thiophen-2-yl)methyl]amino}ethyl)-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-(2-methylpropyl)propanamide
Compound characteristics
| Compound ID: | L940-0199 |
| Compound Name: | 3-[1,5-dioxo-2-(2-oxo-2-{[(thiophen-2-yl)methyl]amino}ethyl)-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-(2-methylpropyl)propanamide |
| Molecular Weight: | 482.56 |
| Molecular Formula: | C23 H26 N6 O4 S |
| Smiles: | CC(C)CNC(CCN1C2=NN(CC(NCc3cccs3)=O)C(N2c2ccccc2C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7933 |
| logD: | 1.7933 |
| logSw: | -2.7747 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.147 |
| InChI Key: | PXIPAZCDYMLNDI-UHFFFAOYSA-N |