N-(butan-2-yl)-3-[5-oxo-1-({2-oxo-2-[(propan-2-yl)amino]ethyl}sulfanyl)[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]propanamide
Chemical Structure Depiction of
N-(butan-2-yl)-3-[5-oxo-1-({2-oxo-2-[(propan-2-yl)amino]ethyl}sulfanyl)[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]propanamide
N-(butan-2-yl)-3-[5-oxo-1-({2-oxo-2-[(propan-2-yl)amino]ethyl}sulfanyl)[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]propanamide
Compound characteristics
| Compound ID: | L942-0097 |
| Compound Name: | N-(butan-2-yl)-3-[5-oxo-1-({2-oxo-2-[(propan-2-yl)amino]ethyl}sulfanyl)[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]propanamide |
| Molecular Weight: | 444.55 |
| Molecular Formula: | C21 H28 N6 O3 S |
| Smiles: | CCC(C)NC(CCN1C(c2ccccc2n2c1nnc2SCC(NC(C)C)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3928 |
| logD: | 1.3928 |
| logSw: | -2.3868 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.192 |
| InChI Key: | MVTQEIXZVVCLBJ-AWEZNQCLSA-N |