3-[5-oxo-1-({2-oxo-2-[(2-phenylethyl)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-[(2-phenylethyl)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-[(2-phenylethyl)amino]ethyl}sulfanyl)[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-(propan-2-yl)propanamide
Compound characteristics
| Compound ID: | L942-0039 |
| Compound Name: | 3-[5-oxo-1-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-(propan-2-yl)propanamide |
| Molecular Weight: | 492.6 |
| Molecular Formula: | C25 H28 N6 O3 S |
| Smiles: | CC(C)NC(CCN1C(c2ccccc2n2c1nnc2SCC(NCCc1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7016 |
| logD: | 1.7016 |
| logSw: | -2.6295 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.321 |
| InChI Key: | HEJAPTWNZMWWNG-UHFFFAOYSA-N |