3-{5-oxo-1-[(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)sulfanyl][1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-(propan-2-yl)propanamide
Chemical Structure Depiction of
3-{5-oxo-1-[(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)sulfanyl][1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-(propan-2-yl)propanamide
3-{5-oxo-1-[(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)sulfanyl][1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-(propan-2-yl)propanamide
Compound characteristics
| Compound ID: | L942-0220 |
| Compound Name: | 3-{5-oxo-1-[(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)sulfanyl][1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-(propan-2-yl)propanamide |
| Molecular Weight: | 472.57 |
| Molecular Formula: | C22 H28 N6 O4 S |
| Smiles: | CC(C)NC(CCN1C(c2ccccc2n2c1nnc2SCC(NCC1CCCO1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.3823 |
| logD: | 0.3823 |
| logSw: | -2.299 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.133 |
| InChI Key: | GXWWFQBFZLLQSZ-OAHLLOKOSA-N |