5-ethyl-7-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
Chemical Structure Depiction of
5-ethyl-7-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
5-ethyl-7-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
Compound characteristics
| Compound ID: | C785-1977 |
| Compound Name: | 5-ethyl-7-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one |
| Molecular Weight: | 421.52 |
| Molecular Formula: | C22 H23 N5 O2 S |
| Smiles: | CCC1=NN(CC(N2CCN(CC2)c2ccccc2)=O)C(c2cc3c(ccs3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6393 |
| logD: | 2.6392 |
| logSw: | -2.8925 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 51.139 |
| InChI Key: | GOOQLLYYWITZHZ-UHFFFAOYSA-N |