3-[1-({2-[(3-methoxypropyl)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-[(3-methoxypropyl)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-[(3-methoxypropyl)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: | L942-0219 |
| Compound Name: | 3-[1-({2-[(3-methoxypropyl)amino]-2-oxoethyl}sulfanyl)-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-(propan-2-yl)propanamide |
| Molecular Weight: | 460.55 |
| Molecular Formula: | C21 H28 N6 O4 S |
| Smiles: | CC(C)NC(CCN1C(c2ccccc2n2c1nnc2SCC(NCCCOC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4604 |
| logD: | 0.4604 |
| logSw: | -2.2902 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.935 |
| InChI Key: | YNWVDSACRBXKLW-UHFFFAOYSA-N |