5-ethyl-7-{2-[4-(4-methoxyphenyl)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-[4-(4-methoxyphenyl)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-[4-(4-methoxyphenyl)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: | C785-2010 |
| Compound Name: | 5-ethyl-7-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one |
| Molecular Weight: | 451.55 |
| Molecular Formula: | C23 H25 N5 O3 S |
| Smiles: | CCC1=NN(CC(N2CCN(CC2)c2ccc(cc2)OC)=O)C(c2cc3c(ccs3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7432 |
| logD: | 2.7427 |
| logSw: | -3.07 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.683 |
| InChI Key: | CULWXUCPJOUERK-UHFFFAOYSA-N |