3-{1-[(2-amino-2-oxoethyl)sulfanyl]-7-methyl-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-amino-2-oxoethyl)sulfanyl]-7-methyl-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-(propan-2-yl)propanamide
3-{1-[(2-amino-2-oxoethyl)sulfanyl]-7-methyl-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-(propan-2-yl)propanamide
Compound characteristics
| Compound ID: | L942-0177 |
| Compound Name: | 3-{1-[(2-amino-2-oxoethyl)sulfanyl]-7-methyl-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-(propan-2-yl)propanamide |
| Molecular Weight: | 402.47 |
| Molecular Formula: | C18 H22 N6 O3 S |
| Smiles: | CC(C)NC(CCN1C(c2cc(C)ccc2n2c1nnc2SCC(N)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7179 |
| logD: | 0.7179 |
| logSw: | -2.3457 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.667 |
| InChI Key: | XHZHLTSVNKJVAE-UHFFFAOYSA-N |