7-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-5-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
Chemical Structure Depiction of
7-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-5-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
7-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-5-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
Compound characteristics
| Compound ID: | C785-1981 |
| Compound Name: | 7-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-5-ethylthieno[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(CC2)c2cccc(C)c2C)=O)C(c2cc3c(ccs3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7629 |
| logD: | 3.7628 |
| logSw: | -3.8886 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.838 |
| InChI Key: | MHNYJKLIKISUGK-UHFFFAOYSA-N |