N-(4-chlorophenyl)-2-(6-ethyl-6-methyl-4-oxo-5,8-dihydro-4H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-3(6H)-yl)acetamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-2-(6-ethyl-6-methyl-4-oxo-5,8-dihydro-4H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-3(6H)-yl)acetamide
N-(4-chlorophenyl)-2-(6-ethyl-6-methyl-4-oxo-5,8-dihydro-4H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-3(6H)-yl)acetamide
Compound characteristics
| Compound ID: | 8640-0249 |
| Compound Name: | N-(4-chlorophenyl)-2-(6-ethyl-6-methyl-4-oxo-5,8-dihydro-4H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-3(6H)-yl)acetamide |
| Molecular Weight: | 418.9 |
| Molecular Formula: | C19 H19 Cl N4 O3 S |
| Smiles: | [H]N(C(CN1C(c2c3CC(C)(CC)OCc3sc2N=N1)=O)=O)c1ccc(cc1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4201 |
| logD: | 4.42 |
| logSw: | -4.9157 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.796 |
| InChI Key: | BBDUPHZCNIOKDQ-IBGZPJMESA-N |