5-ethyl-7-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
Chemical Structure Depiction of
5-ethyl-7-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
5-ethyl-7-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
Compound characteristics
| Compound ID: | C785-1986 |
| Compound Name: | 5-ethyl-7-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one |
| Molecular Weight: | 449.57 |
| Molecular Formula: | C24 H27 N5 O2 S |
| Smiles: | CCC1=NN(CC(N2CCN(C(C)C2)c2cccc(C)c2)=O)C(c2cc3c(ccs3)n12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5505 |
| logD: | 3.5503 |
| logSw: | -3.5835 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.357 |
| InChI Key: | XHNOAKZMTDYWDX-KRWDZBQOSA-N |