(2,4-dimethylphenyl){3-[1-(propane-2-sulfonyl)piperidin-4-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}methanone
Chemical Structure Depiction of
(2,4-dimethylphenyl){3-[1-(propane-2-sulfonyl)piperidin-4-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}methanone
(2,4-dimethylphenyl){3-[1-(propane-2-sulfonyl)piperidin-4-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}methanone
Compound characteristics
| Compound ID: | S903-0749 |
| Compound Name: | (2,4-dimethylphenyl){3-[1-(propane-2-sulfonyl)piperidin-4-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}methanone |
| Molecular Weight: | 445.58 |
| Molecular Formula: | C22 H31 N5 O3 S |
| Smiles: | CC(C)S(N1CCC(CC1)c1nnc2CN(CCn12)C(c1ccc(C)cc1C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2283 |
| logD: | 2.2283 |
| logSw: | -2.8816 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.304 |
| InChI Key: | ARACPBOJXZDQEW-UHFFFAOYSA-N |