7-{4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-oxobutyl}-5-ethylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
Chemical Structure Depiction of
7-{4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-oxobutyl}-5-ethylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
7-{4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-oxobutyl}-5-ethylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
Compound characteristics
| Compound ID: | C887-1458 |
| Compound Name: | 7-{4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-oxobutyl}-5-ethylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one |
| Molecular Weight: | 461.56 |
| Molecular Formula: | C26 H31 N5 O3 |
| Smiles: | CCC1=NN(CCCC(N2CCN(CC2)c2cc(C)ccc2C)=O)C(c2cc3c(cco3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3819 |
| logD: | 3.3784 |
| logSw: | -3.5774 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.27 |
| InChI Key: | CCYUBDMZXYNQKR-UHFFFAOYSA-N |