N-(4-chlorophenyl)-2-[6-ethyl-6-methyl-9-(methylsulfanyl)-7-oxo-5,7-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-11(6H)-yl]acetamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-2-[6-ethyl-6-methyl-9-(methylsulfanyl)-7-oxo-5,7-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-11(6H)-yl]acetamide
N-(4-chlorophenyl)-2-[6-ethyl-6-methyl-9-(methylsulfanyl)-7-oxo-5,7-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-11(6H)-yl]acetamide
Compound characteristics
| Compound ID: | D461-0146 |
| Compound Name: | N-(4-chlorophenyl)-2-[6-ethyl-6-methyl-9-(methylsulfanyl)-7-oxo-5,7-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-11(6H)-yl]acetamide |
| Molecular Weight: | 494.01 |
| Molecular Formula: | C25 H24 Cl N5 O2 S |
| Smiles: | CCC1(C)Cc2ccccc2C2=C1C(N1C(=N2)N(CC(Nc2ccc(cc2)[Cl])=O)N=C1SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1385 |
| logD: | 5.1377 |
| logSw: | -5.4435 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.718 |
| InChI Key: | ZRMDNTUGKGBYLR-VWLOTQADSA-N |