3-{1-[(2-{[(4-fluorophenyl)methyl]amino}-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-fluorophenyl)methyl]amino}-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-fluorophenyl)methyl]amino}-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: | L942-0063 |
| Compound Name: | 3-{1-[(2-{[(4-fluorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-(propan-2-yl)propanamide |
| Molecular Weight: | 496.56 |
| Molecular Formula: | C24 H25 F N6 O3 S |
| Smiles: | CC(C)NC(CCN1C(c2ccccc2n2c1nnc2SCC(NCc1ccc(cc1)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9559 |
| logD: | 1.9559 |
| logSw: | -2.6953 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.479 |
| InChI Key: | KUUHDIAWVPKGIA-UHFFFAOYSA-N |