3-[1-({2-[(butan-2-yl)amino]-2-oxoethyl}sulfanyl)-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-(2-methylpropyl)propanamide
Chemical Structure Depiction of
3-[1-({2-[(butan-2-yl)amino]-2-oxoethyl}sulfanyl)-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-(2-methylpropyl)propanamide
3-[1-({2-[(butan-2-yl)amino]-2-oxoethyl}sulfanyl)-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-(2-methylpropyl)propanamide
Compound characteristics
| Compound ID: | L942-0143 |
| Compound Name: | 3-[1-({2-[(butan-2-yl)amino]-2-oxoethyl}sulfanyl)-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-(2-methylpropyl)propanamide |
| Molecular Weight: | 458.58 |
| Molecular Formula: | C22 H30 N6 O3 S |
| Smiles: | CCC(C)NC(CSc1nnc2N(CCC(NCC(C)C)=O)C(c3ccccc3n12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6749 |
| logD: | 1.6749 |
| logSw: | -2.5901 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.218 |
| InChI Key: | QJTQNKKLWOTPPC-HNNXBMFYSA-N |