7-[4-(2,5-dimethylphenyl)piperazine-1-sulfonyl]-4-ethylpyrrolo[1,2-d][1,2,4]triazin-1(2H)-one
Chemical Structure Depiction of
7-[4-(2,5-dimethylphenyl)piperazine-1-sulfonyl]-4-ethylpyrrolo[1,2-d][1,2,4]triazin-1(2H)-one
7-[4-(2,5-dimethylphenyl)piperazine-1-sulfonyl]-4-ethylpyrrolo[1,2-d][1,2,4]triazin-1(2H)-one
Compound characteristics
| Compound ID: | P666-2144 |
| Compound Name: | 7-[4-(2,5-dimethylphenyl)piperazine-1-sulfonyl]-4-ethylpyrrolo[1,2-d][1,2,4]triazin-1(2H)-one |
| Molecular Weight: | 415.51 |
| Molecular Formula: | C20 H25 N5 O3 S |
| Smiles: | CCC1=NNC(c2cc(cn12)S(N1CCN(CC1)c1cc(C)ccc1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9325 |
| logD: | 2.9317 |
| logSw: | -3.3438 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.117 |
| InChI Key: | JCVVEBAXIJYOCB-UHFFFAOYSA-N |