N-benzyl-2-[6-ethyl-9-(ethylsulfanyl)-6-methyl-7-oxo-5,7-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-11(6H)-yl]acetamide
Chemical Structure Depiction of
N-benzyl-2-[6-ethyl-9-(ethylsulfanyl)-6-methyl-7-oxo-5,7-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-11(6H)-yl]acetamide
N-benzyl-2-[6-ethyl-9-(ethylsulfanyl)-6-methyl-7-oxo-5,7-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-11(6H)-yl]acetamide
Compound characteristics
| Compound ID: | D461-0114 |
| Compound Name: | N-benzyl-2-[6-ethyl-9-(ethylsulfanyl)-6-methyl-7-oxo-5,7-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-11(6H)-yl]acetamide |
| Molecular Weight: | 487.62 |
| Molecular Formula: | C27 H29 N5 O2 S |
| Smiles: | CCC1(C)Cc2ccccc2C2=C1C(N1C(=N2)N(CC(NCc2ccccc2)=O)N=C1SCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6349 |
| logD: | 4.6023 |
| logSw: | -4.4802 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.04 |
| InChI Key: | NPYHJAUZFDNFFZ-MHZLTWQESA-N |